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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:57:03 UTC

Update Date

2022-03-07 02:53:38 UTC

HMDB ID

HMDB0033237

Secondary Accession Numbers

HMDB33237

Metabolite Identification

Common Name

1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside

Description

1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside has been detected, but not quantified in, herbs and spices. This could make 1,2,10-trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 02241210162D          

 26 27  0  0  0  0            999 V2000
    0.9649    0.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6247    0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982    0.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0536    1.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2275    1.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9265   -0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9265   -0.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640    0.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640    1.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1772    0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4289    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -0.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6254    0.0598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4269   -0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042    0.4529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8056    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0296   -0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4537   -1.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537   -0.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6791   -1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8296   -0.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3815    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589    1.6323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8296    1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7472    0.3402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 23 24  1  0  0  0  0
M  END

HMDB0033237
     RDKit          3D
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
 56 57  0  0  0  0  0  0  0  0999 V2000
    0.3153   -1.0801   -1.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363    0.1907   -0.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.3269   -1.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689    0.3418    0.4087 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514    0.4160    0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2764   -0.6383    1.0169 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5873   -0.7673    0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4833   -1.3353    1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7816   -1.4492    1.1753 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1596    0.4605   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5430    0.4390    0.1467 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6513    1.7487    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4704    2.2742    1.5427 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1997    1.6770    0.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.5385    2.3805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7343    0.1083   -0.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4141    1.3117   -0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8614    0.7920   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6235   -0.6733   -0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3055   -1.4412   -1.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8866   -1.1171   -2.5256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1941   -1.1800    1.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5606   -0.9327    1.2504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4905   -0.6062    2.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306   -0.8592    2.2488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2662   -0.9324   -0.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8646   -1.6980   -0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927   -1.7371   -1.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0111   -0.8882   -2.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    1.0320   -2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3401    2.2677   -1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6390    1.5258   -2.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033    0.3365   -0.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563   -1.5684   -0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1516   -2.3529    1.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5285   -0.6382    2.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4583   -1.4820    1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975    0.4436   -1.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0314    0.1897   -0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6771    2.5076   -0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1264    2.9433    1.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6332    2.5742    0.7278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2896    0.5726    2.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0014    0.1151   -1.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616    2.1562   -0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1257    1.4844    0.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2831    1.0376   -1.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4932    1.2650    0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1885   -2.5403   -1.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4173   -1.2661   -1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5563   -0.6026   -3.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583   -2.2810    1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9933   -1.6830    1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7233    0.4581    2.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8513   -1.1589    3.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6369   -0.6255    3.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  2 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 19 26  1  0
 14  5  1  0
 26 16  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  3 32  1  0
  5 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
 10 38  1  0
 11 39  1  0
 12 40  1  0
 13 41  1  0
 14 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 17 46  1  0
 18 47  1  0
 18 48  1  0
 20 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  1  0
 24 55  1  0
 25 56  1  0
M  END


  Mrv0541 02241210162D          

 26 27  0  0  0  0            999 V2000
    0.9649    0.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6247    0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982    0.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0536    1.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2275    1.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9265   -0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9265   -0.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640    0.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0640    1.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1772    0.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4289    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -0.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6254    0.0598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4269   -0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0042    0.4529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8056    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0296   -0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4537   -1.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537   -0.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0790   -1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6791   -1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8296   -0.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3815    0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589    1.6323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8296    1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7472    0.3402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033237

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O1)C(O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C16H30O10/c1-15(2,10-3-4-16(7-19,25-10)9(20)6-18)26-14-13(23)12(22)11(21)8(5-17)24-14/h8-14,17-23H,3-7H2,1-2H3

> <INCHI_KEY>
RYNMENUEBZLOQZ-UHFFFAOYSA-N

> <FORMULA>
C16H30O10

> <MOLECULAR_WEIGHT>
382.4034

> <EXACT_MASS>
382.18389718

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
38.39352443924075

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.24

> <JCHEM_LOGP>
-3.200675175333335

> <ALOGPS_LOGS>
-0.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.905373699006017

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.159543089351637

> <JCHEM_PKA_STRONGEST_BASIC>
-2.978191400821008

> <JCHEM_POLAR_SURFACE_AREA>
169.29999999999998

> <JCHEM_REFRACTIVITY>
86.0932

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.88e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-({2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033237
     RDKit          3D
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
 56 57  0  0  0  0  0  0  0  0999 V2000
    0.3153   -1.0801   -1.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363    0.1907   -0.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.3269   -1.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689    0.3418    0.4087 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514    0.4160    0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2764   -0.6383    1.0169 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5873   -0.7673    0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4833   -1.3353    1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7816   -1.4492    1.1753 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1596    0.4605   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5430    0.4390    0.1467 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6513    1.7487    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4704    2.2742    1.5427 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1997    1.6770    0.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.5385    2.3805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7343    0.1083   -0.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4141    1.3117   -0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8614    0.7920   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6235   -0.6733   -0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3055   -1.4412   -1.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8866   -1.1171   -2.5256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1941   -1.1800    1.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5606   -0.9327    1.2504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4905   -0.6062    2.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306   -0.8592    2.2488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2662   -0.9324   -0.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8646   -1.6980   -0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927   -1.7371   -1.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0111   -0.8882   -2.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    1.0320   -2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3401    2.2677   -1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6390    1.5258   -2.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033    0.3365   -0.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563   -1.5684   -0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1516   -2.3529    1.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5285   -0.6382    2.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4583   -1.4820    1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975    0.4436   -1.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0314    0.1897   -0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6771    2.5076   -0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1264    2.9433    1.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6332    2.5742    0.7278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2896    0.5726    2.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0014    0.1151   -1.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616    2.1562   -0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1257    1.4844    0.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2831    1.0376   -1.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4932    1.2650    0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1885   -2.5403   -1.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4173   -1.2661   -1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5563   -0.6026   -3.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583   -2.2810    1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9933   -1.6830    1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7233    0.4581    2.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8513   -1.1589    3.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6369   -0.6255    3.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  2 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 19 26  1  0
 14  5  1  0
 26 16  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  3 32  1  0
  5 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
 10 38  1  0
 11 39  1  0
 12 40  1  0
 13 41  1  0
 14 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 17 46  1  0
 18 47  1  0
 18 48  1  0
 20 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  1  0
 24 55  1  0
 25 56  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       1.801   0.925   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       3.033   0.001   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.290   0.925   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.833   2.395   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.291   2.395   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.463  -0.073   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       5.463  -1.613   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       5.719   1.497   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.719   3.037   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.331   0.466   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.801   1.510   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.008  -1.035   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -1.167   0.112   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -2.664  -0.258   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -3.741   0.845   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -5.237   0.463   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.655  -1.022   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.580  -2.129   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.087  -1.751   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -2.014  -2.854   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -5.001  -3.609   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -7.149  -1.402   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -6.312   1.564   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -5.897   3.047   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       7.149   3.609   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       6.995   0.635   0.000  0.00  0.00           O+0
CONECT    1    2    5   10                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    6    8                                             
CONECT    4    3    5                                                       
CONECT    5    1    4                                                       
CONECT    6    3    7                                                       
CONECT    7    6                                                            
CONECT    8    3    9   26                                                  
CONECT    9    8   25                                                       
CONECT   10    1   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13   10   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   23                                                  
CONECT   17   16   18   22                                                  
CONECT   18   17   19   21                                                  
CONECT   19   14   18   20                                                  
CONECT   20   19                                                            
CONECT   21   18                                                            
CONECT   22   17                                                            
CONECT   23   16   24                                                       
CONECT   24   23                                                            
CONECT   25    9                                                            
CONECT   26    8                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

COMPND    HMDB0033237
HETATM    1  C1  UNL     1       0.315  -1.080  -1.467  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.236   0.191  -0.857  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.179   1.327  -1.795  1.00  0.00           C  
HETATM    4  O1  UNL     1       0.269   0.342   0.409  1.00  0.00           O  
HETATM    5  C4  UNL     1       1.651   0.416   0.326  1.00  0.00           C  
HETATM    6  O2  UNL     1       2.276  -0.638   1.017  1.00  0.00           O  
HETATM    7  C5  UNL     1       3.587  -0.767   0.573  1.00  0.00           C  
HETATM    8  C6  UNL     1       4.483  -1.335   1.664  1.00  0.00           C  
HETATM    9  O3  UNL     1       5.782  -1.449   1.175  1.00  0.00           O  
HETATM   10  C7  UNL     1       4.160   0.460  -0.022  1.00  0.00           C  
HETATM   11  O4  UNL     1       5.543   0.439   0.147  1.00  0.00           O  
HETATM   12  C8  UNL     1       3.651   1.749   0.547  1.00  0.00           C  
HETATM   13  O5  UNL     1       4.470   2.274   1.543  1.00  0.00           O  
HETATM   14  C9  UNL     1       2.200   1.677   0.976  1.00  0.00           C  
HETATM   15  O6  UNL     1       2.123   1.538   2.380  1.00  0.00           O  
HETATM   16  C10 UNL     1      -1.734   0.108  -0.916  1.00  0.00           C  
HETATM   17  C11 UNL     1      -2.414   1.312  -0.302  1.00  0.00           C  
HETATM   18  C12 UNL     1      -3.861   0.792  -0.349  1.00  0.00           C  
HETATM   19  C13 UNL     1      -3.623  -0.673  -0.152  1.00  0.00           C  
HETATM   20  C14 UNL     1      -4.306  -1.441  -1.261  1.00  0.00           C  
HETATM   21  O7  UNL     1      -3.887  -1.117  -2.526  1.00  0.00           O  
HETATM   22  C15 UNL     1      -4.194  -1.180   1.158  1.00  0.00           C  
HETATM   23  O8  UNL     1      -5.561  -0.933   1.250  1.00  0.00           O  
HETATM   24  C16 UNL     1      -3.490  -0.606   2.353  1.00  0.00           C  
HETATM   25  O9  UNL     1      -2.131  -0.859   2.249  1.00  0.00           O  
HETATM   26  O10 UNL     1      -2.266  -0.932  -0.215  1.00  0.00           O  
HETATM   27  H1  UNL     1       0.865  -1.698  -0.729  1.00  0.00           H  
HETATM   28  H2  UNL     1      -0.493  -1.737  -1.873  1.00  0.00           H  
HETATM   29  H3  UNL     1       1.011  -0.888  -2.303  1.00  0.00           H  
HETATM   30  H4  UNL     1       1.066   1.032  -2.399  1.00  0.00           H  
HETATM   31  H5  UNL     1       0.340   2.268  -1.271  1.00  0.00           H  
HETATM   32  H6  UNL     1      -0.639   1.526  -2.548  1.00  0.00           H  
HETATM   33  H7  UNL     1       2.003   0.336  -0.723  1.00  0.00           H  
HETATM   34  H8  UNL     1       3.556  -1.568  -0.223  1.00  0.00           H  
HETATM   35  H9  UNL     1       4.152  -2.353   1.950  1.00  0.00           H  
HETATM   36  H10 UNL     1       4.529  -0.638   2.533  1.00  0.00           H  
HETATM   37  H11 UNL     1       6.458  -1.482   1.873  1.00  0.00           H  
HETATM   38  H12 UNL     1       3.997   0.444  -1.139  1.00  0.00           H  
HETATM   39  H13 UNL     1       6.031   0.190  -0.670  1.00  0.00           H  
HETATM   40  H14 UNL     1       3.677   2.508  -0.290  1.00  0.00           H  
HETATM   41  H15 UNL     1       5.126   2.943   1.165  1.00  0.00           H  
HETATM   42  H16 UNL     1       1.633   2.574   0.728  1.00  0.00           H  
HETATM   43  H17 UNL     1       2.290   0.573   2.619  1.00  0.00           H  
HETATM   44  H18 UNL     1      -2.001   0.115  -1.991  1.00  0.00           H  
HETATM   45  H19 UNL     1      -2.262   2.156  -0.976  1.00  0.00           H  
HETATM   46  H20 UNL     1      -2.126   1.484   0.741  1.00  0.00           H  
HETATM   47  H21 UNL     1      -4.283   1.038  -1.348  1.00  0.00           H  
HETATM   48  H22 UNL     1      -4.493   1.265   0.401  1.00  0.00           H  
HETATM   49  H23 UNL     1      -4.189  -2.540  -1.138  1.00  0.00           H  
HETATM   50  H24 UNL     1      -5.417  -1.266  -1.218  1.00  0.00           H  
HETATM   51  H25 UNL     1      -4.556  -0.603  -3.060  1.00  0.00           H  
HETATM   52  H26 UNL     1      -4.058  -2.281   1.177  1.00  0.00           H  
HETATM   53  H27 UNL     1      -5.993  -1.683   1.737  1.00  0.00           H  
HETATM   54  H28 UNL     1      -3.723   0.458   2.527  1.00  0.00           H  
HETATM   55  H29 UNL     1      -3.851  -1.159   3.245  1.00  0.00           H  
HETATM   56  H30 UNL     1      -1.637  -0.626   3.073  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3    4   16
CONECT    3   30   31   32
CONECT    4    5
CONECT    5    6   14   33
CONECT    6    7
CONECT    7    8   10   34
CONECT    8    9   35   36
CONECT    9   37
CONECT   10   11   12   38
CONECT   11   39
CONECT   12   13   14   40
CONECT   13   41
CONECT   14   15   42
CONECT   15   43
CONECT   16   17   26   44
CONECT   17   18   45   46
CONECT   18   19   47   48
CONECT   19   20   22   26
CONECT   20   21   49   50
CONECT   21   51
CONECT   22   23   24   52
CONECT   23   53
CONECT   24   25   54   55
CONECT   25   56
END

HMDB0033237
     RDKit          3D
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
 56 57  0  0  0  0  0  0  0  0999 V2000
    0.3153   -1.0801   -1.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363    0.1907   -0.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    1.3269   -1.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689    0.3418    0.4087 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514    0.4160    0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2764   -0.6383    1.0169 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5873   -0.7673    0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4833   -1.3353    1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7816   -1.4492    1.1753 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1596    0.4605   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5430    0.4390    0.1467 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6513    1.7487    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4704    2.2742    1.5427 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1997    1.6770    0.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228    1.5385    2.3805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7343    0.1083   -0.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4141    1.3117   -0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8614    0.7920   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6235   -0.6733   -0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3055   -1.4412   -1.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8866   -1.1171   -2.5256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1941   -1.1800    1.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5606   -0.9327    1.2504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4905   -0.6062    2.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306   -0.8592    2.2488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2662   -0.9324   -0.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8646   -1.6980   -0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927   -1.7371   -1.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0111   -0.8882   -2.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    1.0320   -2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3401    2.2677   -1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6390    1.5258   -2.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033    0.3365   -0.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563   -1.5684   -0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1516   -2.3529    1.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5285   -0.6382    2.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4583   -1.4820    1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975    0.4436   -1.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0314    0.1897   -0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6771    2.5076   -0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1264    2.9433    1.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6332    2.5742    0.7278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2896    0.5726    2.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0014    0.1151   -1.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616    2.1562   -0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1257    1.4844    0.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2831    1.0376   -1.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4932    1.2650    0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1885   -2.5403   -1.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4173   -1.2661   -1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5563   -0.6026   -3.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0583   -2.2810    1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9933   -1.6830    1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7233    0.4581    2.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8513   -1.1589    3.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6369   -0.6255    3.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  2 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 19 26  1  0
 14  5  1  0
 26 16  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  3 32  1  0
  5 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
 10 38  1  0
 11 39  1  0
 12 40  1  0
 13 41  1  0
 14 42  1  0
 15 43  1  0
 16 44  1  0
 17 45  1  0
 17 46  1  0
 18 47  1  0
 18 48  1  0
 20 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  1  0
 24 55  1  0
 25 56  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-b-D-glucopyranoside	Generator
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-β-D-glucopyranoside	Generator

Chemical Formula

C₁₆H₃₀O₁₀

Average Molecular Weight

382.4034

Monoisotopic Molecular Weight

382.18389718

IUPAC Name

2-({2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-({2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

219814-37-6

SMILES

CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O1)C(O)CO

InChI Identifier

InChI=1S/C16H30O10/c1-15(2,10-3-4-16(7-19,25-10)9(20)6-18)26-14-13(23)12(22)11(21)8(5-17)24-14/h8-14,17-23H,3-7H2,1-2H3

InChI Key

RYNMENUEBZLOQZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Oxane
Monosaccharide
Tetrahydrofuran
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Dialkyl ether
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033237)

Source

Endogenous

Endogenous (HMDB: HMDB0033237)

Plant

Plant (HMDB: HMDB0033237)

Exogenous

Food

Food (HMDB: HMDB0033237)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Exogenous (HMDB: HMDB0033237)

Process

Naturally occurring process

Biological process

Cellular process

Cell signaling (HMDB: HMDB0033237)

Role

Biological role

Energy source (HMDB: HMDB0033237)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0033237)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	48.8 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-3.2	ChemAxon
logS	-0.89	ALOGPS
pKa (Strongest Acidic)	12.16	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	169.3 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	86.09 m³·mol⁻¹	ChemAxon
Polarizability	38.39 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	188.281	31661259
DarkChem	[M-H]-	182.535	31661259
DeepCCS	[M+H]+	193.061	30932474
DeepCCS	[M-H]-	190.703	30932474
DeepCCS	[M-2H]-	224.706	30932474
DeepCCS	[M+Na]+	199.951	30932474
AllCCS	[M+H]+	190.2	32859911
AllCCS	[M+H-H2O]+	187.6	32859911
AllCCS	[M+NH4]+	192.5	32859911
AllCCS	[M+Na]+	193.2	32859911
AllCCS	[M-H]-	190.8	32859911
AllCCS	[M+Na-2H]-	191.2	32859911
AllCCS	[M+HCOO]-	191.7	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022.	1.65 minutes	32390414
Predicted by Siyang on May 30, 2022	10.2442 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	6.72 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	318.1 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	945.4 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	198.6 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	64.5 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	174.9 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	55.8 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	312.3 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	315.9 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	701.6 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	619.2 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	63.3 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	846.4 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	189.8 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	241.8 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	517.6 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	386.8 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	252.1 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O1)C(O)CO	2989.0	Standard polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O1)C(O)CO	3115.7	Standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O1)C(O)CO	3078.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC(CO)(C(O)CO)O1	3119.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TMS,isomer #2	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO)(C(O)CO)O1	3110.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TMS,isomer #3	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(O)CO)O1	3089.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TMS,isomer #4	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO)O1	3095.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TMS,isomer #5	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	3138.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TMS,isomer #6	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	3130.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TMS,isomer #7	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	3121.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO)(C(O)CO)O1	3061.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #10	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	3085.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #11	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	3058.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #12	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO)O1	3071.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #13	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	3064.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #14	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	3064.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #15	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	3045.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #16	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	3068.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #17	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	3074.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #18	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	3050.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #19	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	3092.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(O)CO)O1	3052.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #20	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	3088.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #21	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	3081.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO)O1	3055.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	3082.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	3074.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #6	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	3054.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #7	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(O)CO)O1	3059.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #8	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO)O1	3053.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TMS,isomer #9	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	3079.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(O)CO)O1	2992.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #10	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	2978.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #11	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	2996.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #12	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	2953.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #13	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2992.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #14	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2979.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #15	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2978.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #16	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO)O1	3019.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #17	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	2995.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #18	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	3023.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #19	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	2970.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO)O1	2978.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #20	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	2989.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #21	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	3019.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #22	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	2970.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #23	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	3023.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #24	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	3003.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #25	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	3002.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #26	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	3009.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #27	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	3037.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #28	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	2984.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #29	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2990.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	2984.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #30	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2976.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #31	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2979.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #32	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	3003.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #33	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2984.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #34	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2990.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #35	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2998.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	3003.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	2956.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #6	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO)O1	3001.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #7	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	2979.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #8	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	2999.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TMS,isomer #9	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	2953.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO)O1	2942.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #10	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2892.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #11	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	2902.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #12	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	2924.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #13	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	2869.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #14	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2891.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #15	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2862.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #16	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2881.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #17	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2879.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #18	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2859.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #19	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2872.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	2901.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #20	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2888.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #21	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	2924.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #22	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	2948.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #23	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	2891.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #24	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2899.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #25	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2873.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #26	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2894.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #27	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2896.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #28	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2880.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #29	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2902.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	2924.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #30	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2905.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #31	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2906.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #32	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2875.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #33	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2896.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #34	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2879.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #35	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2885.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	2865.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	2880.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #6	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	2906.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #7	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	2853.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #8	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2903.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TMS,isomer #9	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2878.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO)O1	2859.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #10	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2811.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #11	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2820.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #12	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2791.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #13	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2814.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #14	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2804.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #15	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2775.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #16	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2837.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #17	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2805.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #18	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2837.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #19	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2803.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C)O1	2870.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #20	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2798.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #21	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2799.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C)O1	2818.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2830.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2802.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #6	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2819.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #7	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2794.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #8	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2774.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,5TMS,isomer #9	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2788.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,6TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO)O[Si](C)(C)C)O1	2793.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,6TMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(O)CO[Si](C)(C)C)O1	2779.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,6TMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2789.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,6TMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2785.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,6TMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2768.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,6TMS,isomer #6	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2779.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,6TMS,isomer #7	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2771.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,7TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)O1	2777.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TBDMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC(CO)(C(O)CO)O1	3327.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TBDMS,isomer #2	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO)(C(O)CO)O1	3347.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TBDMS,isomer #3	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(O)CO)O1	3337.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TBDMS,isomer #4	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO)O1	3342.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TBDMS,isomer #5	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3349.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TBDMS,isomer #6	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3362.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,1TBDMS,isomer #7	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3332.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO)(C(O)CO)O1	3490.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #10	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3537.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #11	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3500.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #12	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO)O1	3525.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #13	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3497.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #14	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3522.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #15	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3491.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #16	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3497.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #17	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3525.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #18	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3487.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #19	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3544.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(O)CO)O1	3486.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #20	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3515.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #21	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3534.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO)O1	3480.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3493.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3516.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #6	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3470.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #7	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(O)CO)O1	3510.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #8	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO)O1	3506.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,2TBDMS,isomer #9	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3514.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(O)CO)O1	3637.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #10	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3611.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #11	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3642.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #12	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3605.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #13	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3642.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #14	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3637.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #15	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC(CO)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3641.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #16	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO)O1	3661.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #17	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3637.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #18	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3677.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #19	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3643.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO)O1	3619.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #20	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3626.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #21	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3667.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #22	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3636.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #23	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3658.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #24	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3649.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #25	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3655.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #26	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3647.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #27	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3692.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #28	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3657.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #29	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3646.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3633.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #30	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3639.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #31	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3648.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #32	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3636.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #33	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3629.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #34	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3634.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #35	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3665.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3655.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3620.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #6	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO)O1	3643.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #7	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3631.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #8	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3657.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,3TBDMS,isomer #9	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3627.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO)O1	3788.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #10	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3792.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #11	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3784.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #12	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3811.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #13	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3801.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #14	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3787.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #15	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3803.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #16	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3798.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #17	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3763.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #18	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3784.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #19	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3776.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3779.5	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #20	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3790.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #21	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3776.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #22	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3815.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #23	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3798.9	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #24	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3775.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #25	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3793.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #26	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3789.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #27	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3770.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #28	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3789.7	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #29	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3786.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3807.1	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #30	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3792.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #31	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3785.4	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #32	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3803.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #33	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3801.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #34	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3785.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #35	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O1	3767.2	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3795.0	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO)O1	3757.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #6	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3786.8	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #7	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3777.3	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #8	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)O1	3780.6	Semi standard non polar	33892256
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside,4TBDMS,isomer #9	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)O1	3800.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ir0-9238000000-ec0f37099ec1f59bfb0a	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside GC-MS (4 TMS) - 70eV, Positive	splash10-0a4r-2240129000-8d7b493210a1deb00a12	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 10V, Positive-QTOF	splash10-0g59-0498000000-114209434f6818e875c6	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 20V, Positive-QTOF	splash10-0w90-3491000000-9500af172e252bcdb81a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 40V, Positive-QTOF	splash10-0zfr-2930000000-bd7220d79fcea80dedb0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 10V, Negative-QTOF	splash10-06e9-2439000000-f1dd9f7753cb50d57fdd	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 20V, Negative-QTOF	splash10-0o6r-4985000000-be5b06a16aa4eaa02f47	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 40V, Negative-QTOF	splash10-0a4i-4920000000-9d845014cc0fec30c136	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 10V, Positive-QTOF	splash10-001i-0429000000-eef0ef52462f6ce235ba	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 20V, Positive-QTOF	splash10-0gvo-2922000000-8624444d3fafa69f6ff6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 40V, Positive-QTOF	splash10-0f6y-9630000000-49c84eaba8321605bd6c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 10V, Negative-QTOF	splash10-001i-0009000000-c8a8e019e0598422f087	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 20V, Negative-QTOF	splash10-0a4i-9000000000-f4e10a57bce5eedf8702	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside 40V, Negative-QTOF	splash10-0a4l-9311000000-3490861cb971e0dbb905	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB011252

KNApSAcK ID

C00058020

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

85225480

PDB ID

Not Available

ChEBI ID

167921

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside (HMDB0033237)

MOL for HMDB0033237 (1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside)

3D MOL for HMDB0033237 (1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside)

3D SDF for HMDB0033237 (1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside)

3D-SDF for HMDB0033237 (1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside)

PDB for HMDB0033237 (1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside)

3D PDB for HMDB0033237 (1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside)

SMILES for HMDB0033237 (1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside)

INCHI for HMDB0033237 (1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside)

Structure for HMDB0033237 (1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside)

3D Structure for HMDB0033237 (1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra