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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (2) Show 2 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:40:06 UTC

Update Date

2022-03-07 02:55:19 UTC

HMDB ID

HMDB0037421

Secondary Accession Numbers

HMDB37421

Metabolite Identification

Common Name

Apimaysin

Description

Apimaysin belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Apimaysin has been detected, but not quantified in, a few different foods, such as breakfast cereal, cereals and cereal products, and corns (Zea mays). This could make apimaysin a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on Apimaysin.

Structure

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


  Mrv0541 02241215522D          

 40 44  0  0  0  0            999 V2000
   -0.7149    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7149   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435    2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435    2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5720    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8571   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5720   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5720   -2.8873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END

HMDB0037421
     RDKit          3D
Apimaysin
 68 72  0  0  0  0  0  0  0  0999 V2000
   -0.8837   -2.9176   -4.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218   -1.8516   -3.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv0541 02241215522D          

 40 44  0  0  0  0            999 V2000
   -0.7149    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7149   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 37  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 39  1  0  0  0  0
 35 38  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037421

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2C(O)C(=O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19,22-28,30-31,33-36H,1-2H3

> <INCHI_KEY>
LCQVQAZLYBJMGJ-UHFFFAOYSA-N

> <FORMULA>
C27H28O13

> <MOLECULAR_WEIGHT>
560.5034

> <EXACT_MASS>
560.152990982

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
55.32338079394539

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(4-hydroxyphenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
1.54

> <JCHEM_LOGP>
0.887528690666667

> <ALOGPS_LOGS>
-2.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.5018499492318

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.196338722971329

> <JCHEM_PKA_STRONGEST_BASIC>
-3.612182614118953

> <JCHEM_POLAR_SURFACE_AREA>
212.66999999999996

> <JCHEM_REFRACTIVITY>
134.5914

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.97e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(4-hydroxyphenyl)chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037421
     RDKit          3D
Apimaysin
 68 72  0  0  0  0  0  0  0  0999 V2000
   -0.8837   -2.9176   -4.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218   -1.8516   -3.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588   -2.3735   -1.9366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0432   -1.3724   -0.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3335   -1.0055   -0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3085   -1.9666   -0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9373   -3.1992   -1.4664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -1.7813   -0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552   -0.5937   -0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3381   -0.4133    0.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163    0.6865    0.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2570    0.7862    0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0955   -0.2634    0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4560   -0.1975    0.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9871    0.9498    1.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792    0.9906    1.6400 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1855    2.0277    1.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8078    1.9343    1.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    1.6928    1.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    1.5367    0.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    2.4917    1.0497 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0924    0.3803    0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    0.1901   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1597    1.1767    0.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1042   -0.3898   -1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3423   -0.8956   -0.5773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8930   -0.0337    0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0791    0.4570   -0.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8476    1.1440    0.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3747    2.5642    0.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1347    0.4043    2.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9248    1.1942    2.8716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8316    0.0302    2.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0871    1.1126    3.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0177   -0.7361    1.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5316   -2.0007    1.5139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4323    0.0335   -2.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6336    1.1169   -2.8695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -1.0517   -3.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9108   -1.2501   -4.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300   -3.9226   -3.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779   -2.9055   -4.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199   -2.7312   -4.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0751   -1.1358   -3.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3402   -2.0157   -0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -3.8623   -1.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063   -2.5194   -0.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6991   -1.1655    0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1372   -1.0111    0.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0130    1.3357    0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6293    2.9136    2.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2157    2.7932    1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2876    2.6148    1.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0726    2.0387    0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519    0.5280   -0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2312    0.8512    0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8572    1.2744    0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1140    3.0961    1.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3971    3.1306    0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3447    2.6192    1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6417   -0.5447    1.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5349    1.7143    2.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9584   -0.6432    3.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4475    0.8343    3.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9927   -0.8557    2.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7752   -2.1801    0.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.3133   -2.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7180    0.8284   -3.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 11 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
  4 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 25 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  2  0
 39  2  1  0
 23  5  1  0
 35 27  1  0
 22  9  1  0
 18 12  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  4 45  1  0
  7 46  1  0
  8 47  1  0
 13 48  1  0
 14 49  1  0
 16 50  1  0
 17 51  1  0
 18 52  1  0
 19 53  1  0
 24 54  1  0
 25 55  1  0
 27 56  1  0
 29 57  1  0
 30 58  1  0
 30 59  1  0
 30 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  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      -1.334   0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -2.667  -1.540   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.000  -1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.000   3.080   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -4.001   5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.333   3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.333   1.540   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -6.668   0.770   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -2.667   3.080   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.001   0.770   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       2.667   3.080   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.667  -1.540   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -6.668   3.850   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       8.002  -1.540   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.333  -1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.333  -3.080   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.668  -3.850   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       9.334  -3.850   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -5.333  -1.540   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -5.333  -3.080   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -4.001  -3.850   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -9.334  -3.850   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -9.334  -0.770   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -8.002  -1.540   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -6.668  -3.850   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
CONECT    1    2    7   15                                                  
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   22                                                  
CONECT    6    5    7   19                                                  
CONECT    7    1    6    8                                                  
CONECT    8    7                                                            
CONECT    9   10                                                            
CONECT   10    9   11   14                                                  
CONECT   11   10   12   23                                                  
CONECT   12   11   13   16                                                  
CONECT   13   12                                                            
CONECT   14   10   15                                                       
CONECT   15    1   14   16                                                  
CONECT   16   12   15   17                                                  
CONECT   17   16   32                                                       
CONECT   18   19                                                            
CONECT   19    6   18   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22    5   21                                                       
CONECT   23   11                                                            
CONECT   24   25   29                                                       
CONECT   25   24   26                                                       
CONECT   26   21   25   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   24   28   30                                                  
CONECT   30   29                                                            
CONECT   31   32   37                                                       
CONECT   32   17   31   33                                                  
CONECT   33   32   34   39                                                  
CONECT   34   33                                                            
CONECT   35   38                                                            
CONECT   36   37                                                            
CONECT   37   31   36   38                                                  
CONECT   38   35   37   39                                                  
CONECT   39   33   38   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

COMPND    HMDB0037421
HETATM    1  C1  UNL     1      -0.884  -2.918  -4.265  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.922  -1.852  -3.192  1.00  0.00           C  
HETATM    3  O1  UNL     1      -1.059  -2.373  -1.937  1.00  0.00           O  
HETATM    4  C3  UNL     1      -1.043  -1.372  -0.948  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.333  -1.006  -0.635  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.308  -1.967  -0.897  1.00  0.00           C  
HETATM    7  O2  UNL     1       0.937  -3.199  -1.466  1.00  0.00           O  
HETATM    8  C6  UNL     1       2.638  -1.781  -0.628  1.00  0.00           C  
HETATM    9  C7  UNL     1       3.055  -0.594  -0.071  1.00  0.00           C  
HETATM   10  O3  UNL     1       4.338  -0.413   0.191  1.00  0.00           O  
HETATM   11  C8  UNL     1       4.816   0.686   0.722  1.00  0.00           C  
HETATM   12  C9  UNL     1       6.257   0.786   0.973  1.00  0.00           C  
HETATM   13  C10 UNL     1       7.095  -0.263   0.660  1.00  0.00           C  
HETATM   14  C11 UNL     1       8.456  -0.198   0.880  1.00  0.00           C  
HETATM   15  C12 UNL     1       8.987   0.950   1.426  1.00  0.00           C  
HETATM   16  O4  UNL     1      10.379   0.991   1.640  1.00  0.00           O  
HETATM   17  C13 UNL     1       8.186   2.028   1.757  1.00  0.00           C  
HETATM   18  C14 UNL     1       6.808   1.934   1.523  1.00  0.00           C  
HETATM   19  C15 UNL     1       3.938   1.693   1.018  1.00  0.00           C  
HETATM   20  C16 UNL     1       2.560   1.537   0.753  1.00  0.00           C  
HETATM   21  O5  UNL     1       1.836   2.492   1.050  1.00  0.00           O  
HETATM   22  C17 UNL     1       2.092   0.380   0.199  1.00  0.00           C  
HETATM   23  C18 UNL     1       0.742   0.190  -0.075  1.00  0.00           C  
HETATM   24  O6  UNL     1      -0.160   1.177   0.210  1.00  0.00           O  
HETATM   25  C19 UNL     1      -2.104  -0.390  -1.067  1.00  0.00           C  
HETATM   26  O7  UNL     1      -3.342  -0.896  -0.577  1.00  0.00           O  
HETATM   27  C20 UNL     1      -3.893  -0.034   0.361  1.00  0.00           C  
HETATM   28  O8  UNL     1      -5.079   0.457  -0.142  1.00  0.00           O  
HETATM   29  C21 UNL     1      -5.848   1.144   0.762  1.00  0.00           C  
HETATM   30  C22 UNL     1      -5.375   2.564   0.997  1.00  0.00           C  
HETATM   31  C23 UNL     1      -6.135   0.404   2.041  1.00  0.00           C  
HETATM   32  O9  UNL     1      -6.925   1.194   2.872  1.00  0.00           O  
HETATM   33  C24 UNL     1      -4.832   0.030   2.677  1.00  0.00           C  
HETATM   34  O10 UNL     1      -4.087   1.113   3.108  1.00  0.00           O  
HETATM   35  C25 UNL     1      -4.018  -0.736   1.661  1.00  0.00           C  
HETATM   36  O11 UNL     1      -4.532  -2.001   1.514  1.00  0.00           O  
HETATM   37  C26 UNL     1      -2.432   0.033  -2.495  1.00  0.00           C  
HETATM   38  O12 UNL     1      -1.634   1.117  -2.869  1.00  0.00           O  
HETATM   39  C27 UNL     1      -2.168  -1.052  -3.460  1.00  0.00           C  
HETATM   40  O13 UNL     1      -2.911  -1.250  -4.372  1.00  0.00           O  
HETATM   41  H1  UNL     1      -0.730  -3.923  -3.792  1.00  0.00           H  
HETATM   42  H2  UNL     1      -1.778  -2.905  -4.928  1.00  0.00           H  
HETATM   43  H3  UNL     1       0.020  -2.731  -4.881  1.00  0.00           H  
HETATM   44  H4  UNL     1      -0.075  -1.136  -3.270  1.00  0.00           H  
HETATM   45  H5  UNL     1      -1.340  -2.016  -0.017  1.00  0.00           H  
HETATM   46  H6  UNL     1       1.669  -3.862  -1.641  1.00  0.00           H  
HETATM   47  H7  UNL     1       3.406  -2.519  -0.827  1.00  0.00           H  
HETATM   48  H8  UNL     1       6.699  -1.166   0.232  1.00  0.00           H  
HETATM   49  H9  UNL     1       9.137  -1.011   0.645  1.00  0.00           H  
HETATM   50  H10 UNL     1      11.013   1.336   0.923  1.00  0.00           H  
HETATM   51  H11 UNL     1       8.629   2.914   2.184  1.00  0.00           H  
HETATM   52  H12 UNL     1       6.216   2.793   1.791  1.00  0.00           H  
HETATM   53  H13 UNL     1       4.288   2.615   1.456  1.00  0.00           H  
HETATM   54  H14 UNL     1      -0.073   2.039   0.585  1.00  0.00           H  
HETATM   55  H15 UNL     1      -1.952   0.528  -0.516  1.00  0.00           H  
HETATM   56  H16 UNL     1      -3.231   0.851   0.514  1.00  0.00           H  
HETATM   57  H17 UNL     1      -6.857   1.274   0.258  1.00  0.00           H  
HETATM   58  H18 UNL     1      -6.114   3.096   1.628  1.00  0.00           H  
HETATM   59  H19 UNL     1      -5.397   3.131   0.017  1.00  0.00           H  
HETATM   60  H20 UNL     1      -4.345   2.619   1.346  1.00  0.00           H  
HETATM   61  H21 UNL     1      -6.642  -0.545   1.755  1.00  0.00           H  
HETATM   62  H22 UNL     1      -7.535   1.714   2.294  1.00  0.00           H  
HETATM   63  H23 UNL     1      -4.958  -0.643   3.553  1.00  0.00           H  
HETATM   64  H24 UNL     1      -3.448   0.834   3.825  1.00  0.00           H  
HETATM   65  H25 UNL     1      -2.993  -0.856   2.111  1.00  0.00           H  
HETATM   66  H26 UNL     1      -4.775  -2.180   0.576  1.00  0.00           H  
HETATM   67  H27 UNL     1      -3.500   0.313  -2.594  1.00  0.00           H  
HETATM   68  H28 UNL     1      -0.718   0.828  -3.126  1.00  0.00           H  
CONECT    1    2   41   42   43
CONECT    2    3   39   44
CONECT    3    4
CONECT    4    5   25   45
CONECT    5    6    6   23
CONECT    6    7    8
CONECT    7   46
CONECT    8    9    9   47
CONECT    9   10   22
CONECT   10   11
CONECT   11   12   19   19
CONECT   12   13   13   18
CONECT   13   14   48
CONECT   14   15   15   49
CONECT   15   16   17
CONECT   16   50
CONECT   17   18   18   51
CONECT   18   52
CONECT   19   20   53
CONECT   20   21   21   22
CONECT   22   23   23
CONECT   23   24
CONECT   24   54
CONECT   25   26   37   55
CONECT   26   27
CONECT   27   28   35   56
CONECT   28   29
CONECT   29   30   31   57
CONECT   30   58   59   60
CONECT   31   32   33   61
CONECT   32   62
CONECT   33   34   35   63
CONECT   34   64
CONECT   35   36   65
CONECT   36   66
CONECT   37   38   39   67
CONECT   38   68
CONECT   39   40   40
END

HMDB0037421
     RDKit          3D
Apimaysin
 68 72  0  0  0  0  0  0  0  0999 V2000
   -0.8837   -2.9176   -4.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218   -1.8516   -3.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588   -2.3735   -1.9366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0432   -1.3724   -0.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3335   -1.0055   -0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3085   -1.9666   -0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9373   -3.1992   -1.4664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -1.7813   -0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552   -0.5937   -0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3381   -0.4133    0.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8163    0.6865    0.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2570    0.7862    0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0955   -0.2634    0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4560   -0.1975    0.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9871    0.9498    1.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792    0.9906    1.6400 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1855    2.0277    1.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8078    1.9343    1.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    1.6928    1.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    1.5367    0.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    2.4917    1.0497 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0924    0.3803    0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    0.1901   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1597    1.1767    0.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1042   -0.3898   -1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3423   -0.8956   -0.5773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8930   -0.0337    0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0791    0.4570   -0.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8476    1.1440    0.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3747    2.5642    0.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1347    0.4043    2.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9248    1.1942    2.8716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8316    0.0302    2.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0871    1.1126    3.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0177   -0.7361    1.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5316   -2.0007    1.5139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4323    0.0335   -2.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6336    1.1169   -2.8695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -1.0517   -3.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9108   -1.2501   -4.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300   -3.9226   -3.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779   -2.9055   -4.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199   -2.7312   -4.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0751   -1.1358   -3.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3402   -2.0157   -0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -3.8623   -1.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063   -2.5194   -0.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6991   -1.1655    0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1372   -1.0111    0.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0130    1.3357    0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6293    2.9136    2.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2157    2.7932    1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2876    2.6148    1.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0726    2.0387    0.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519    0.5280   -0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2312    0.8512    0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8572    1.2744    0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1140    3.0961    1.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3971    3.1306    0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3447    2.6192    1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6417   -0.5447    1.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5349    1.7143    2.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9584   -0.6432    3.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4475    0.8343    3.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9927   -0.8557    2.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7752   -2.1801    0.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.3133   -2.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7180    0.8284   -3.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 11 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
  4 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 25 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  2  0
 39  2  1  0
 23  5  1  0
 35 27  1  0
 22  9  1  0
 18 12  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  4 45  1  0
  7 46  1  0
  8 47  1  0
 13 48  1  0
 14 49  1  0
 16 50  1  0
 17 51  1  0
 18 52  1  0
 19 53  1  0
 24 54  1  0
 25 55  1  0
 27 56  1  0
 29 57  1  0
 30 58  1  0
 30 59  1  0
 30 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2,6-anhydro-1-Deoxy-5-O-(6-deoxy-alpha-L-mannopyranosyl)-6-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-xylo-3-hexulose	HMDB
3'-Deoxymaysin	HMDB
Apimaysin	MeSH

Chemical Formula

C₂₇H₂₈O₁₃

Average Molecular Weight

560.5034

Monoisotopic Molecular Weight

560.152990982

IUPAC Name

5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(4-hydroxyphenyl)-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(4-hydroxyphenyl)chromen-4-one

CAS Registry Number

74158-04-6

SMILES

CC1OC(OC2C(O)C(=O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19,22-28,30-31,33-36H,1-2H3

InChI Key

LCQVQAZLYBJMGJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid C-glycosides

Alternative Parents

Substituents

Flavonoid c-glycoside
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Chromone
Disaccharide
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Phenol
Monocyclic benzene moiety
Benzenoid
Pyran
Oxane
Heteroaromatic compound
Vinylogous acid
Ketone
Secondary alcohol
Cyclic ketone
Polyol
Acetal
Oxacycle
Dialkyl ether
Organoheterocyclic compound
Ether
Organic oxygen compound
Organic oxide
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037421)
Cytoplasm (HMDB: HMDB0037421)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037421)

Source

Exogenous

Exogenous (HMDB: HMDB0037421)

Food

Food (HMDB: HMDB0037421)

Cereal and cereal product

Cereal product

Breakfast cereal (FooDB: FOOD00270)

Cereal

Corn (FooDB: FOOD00205)

Cereals and cereal products (FooDB: FOOD00858)

Endogenous

Plant

Plant (HMDB: HMDB0037421)
Poaceae (HMDB: HMDB0037421)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0037421)

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	83.03 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.97 g/L	ALOGPS
logP	1.54	ALOGPS
logP	0.89	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	6.2	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	212.67 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	134.59 m³·mol⁻¹	ChemAxon
Polarizability	55.32 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	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
DeepCCS	[M+H]+	221.142	30932474
DeepCCS	[M-H]-	218.747	30932474
DeepCCS	[M-2H]-	251.98	30932474
DeepCCS	[M+Na]+	227.055	30932474
AllCCS	[M+H]+	229.6	32859911
AllCCS	[M+H-H2O]+	227.9	32859911
AllCCS	[M+NH4]+	231.1	32859911
AllCCS	[M+Na]+	231.5	32859911
AllCCS	[M-H]-	227.7	32859911
AllCCS	[M+Na-2H]-	229.9	32859911
AllCCS	[M+HCOO]-	232.4	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. Predicted by Afia on May 17, 2022.	5.63 minutes	32390414
Predicted by Siyang on May 30, 2022	11.8448 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	5.09 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	61.4 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	2669.8 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	165.9 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	135.4 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	146.6 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	106.6 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	433.8 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	565.8 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	146.8 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	785.3 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	456.9 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	1597.3 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	311.1 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	335.1 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	254.1 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	199.1 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	76.5 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Apimaysin	CC1OC(OC2C(O)C(=O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5862.1	Standard polar	33892256
Apimaysin	CC1OC(OC2C(O)C(=O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O	4574.3	Standard non polar	33892256
Apimaysin	CC1OC(OC2C(O)C(=O)C(C)OC2C2=C(O)C=C3OC(=CC(=O)C3=C2O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5287.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Apimaysin,1TMS,isomer #1	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1=O	5135.1	Semi standard non polar	33892256
Apimaysin,1TMS,isomer #2	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	5128.5	Semi standard non polar	33892256
Apimaysin,1TMS,isomer #3	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	5092.4	Semi standard non polar	33892256
Apimaysin,1TMS,isomer #4	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	5150.2	Semi standard non polar	33892256
Apimaysin,1TMS,isomer #5	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1=O	5124.7	Semi standard non polar	33892256
Apimaysin,1TMS,isomer #6	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1=O	5143.5	Semi standard non polar	33892256
Apimaysin,1TMS,isomer #7	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1=O	5148.1	Semi standard non polar	33892256
Apimaysin,1TMS,isomer #8	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	5057.7	Semi standard non polar	33892256
Apimaysin,1TMS,isomer #9	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)=C1O[Si](C)(C)C	5033.5	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #1	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1=O	5055.3	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #10	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	5054.2	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #11	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1=O	5064.0	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #12	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1=O	5030.5	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #13	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1=O	5040.0	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #14	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	5013.9	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #15	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)=C1O[Si](C)(C)C	4972.2	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #16	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	5045.9	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #17	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1=O	5048.7	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #18	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1=O	5011.3	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #19	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1=O	5023.2	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #2	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1=O	5072.7	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #20	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4968.8	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #21	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)=C1O[Si](C)(C)C	4927.2	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #22	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1=O	5077.2	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #23	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1=O	5040.6	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #24	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1=O	5056.9	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #25	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	5056.3	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #26	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)=C1O[Si](C)(C)C	4984.7	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #27	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1=O	5072.4	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #28	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1=O	5069.8	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #29	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	5034.0	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #3	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1=O	5037.1	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #30	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4979.1	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #31	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1=O	5085.9	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #32	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	5032.5	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #33	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)=C1O[Si](C)(C)C	4976.0	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #34	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	5053.8	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #35	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)=C1O[Si](C)(C)C	4986.3	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #4	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1=O	5077.6	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #5	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1=O	5058.6	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #6	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	5059.7	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #7	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	5052.8	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #8	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	5010.4	Semi standard non polar	33892256
Apimaysin,2TMS,isomer #9	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	5052.1	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #1	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1=O	4929.1	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #10	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1=O	4881.7	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #11	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4926.5	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #12	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4968.0	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #13	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4915.9	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #14	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1=O	4882.3	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #15	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1=O	4826.4	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #16	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4852.4	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #17	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4870.3	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #18	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4841.2	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #19	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1=O	4921.2	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #2	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1=O	4902.6	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #20	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4937.3	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #21	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4958.6	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #22	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4915.1	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #23	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4917.9	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #24	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4911.2	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #25	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4882.0	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #26	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4936.6	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #27	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4908.0	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #28	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	4946.1	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #29	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1=O	4966.5	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #3	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1=O	4926.8	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #30	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1=O	4892.7	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #31	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1=O	4933.8	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #32	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4911.9	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #33	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)=C1O[Si](C)(C)C	4879.7	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #34	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1=O	4933.9	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #35	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1=O	4871.9	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #36	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1=O	4893.6	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #37	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4870.4	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #38	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)=C1O[Si](C)(C)C	4836.8	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #39	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1=O	4914.2	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #4	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1=O	4865.4	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #40	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1=O	4928.0	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #41	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4912.2	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #42	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)=C1O[Si](C)(C)C	4880.7	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #43	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1=O	4906.6	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #44	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4855.6	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #45	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)=C1O[Si](C)(C)C	4844.4	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #46	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4882.0	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #47	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4866.8	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #48	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1=O	4929.0	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #49	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1=O	4851.4	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #5	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4895.7	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #50	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1=O	4898.7	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #51	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4869.3	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #52	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)=C1O[Si](C)(C)C	4826.3	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #53	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1=O	4866.9	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #54	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1=O	4872.8	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #55	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4865.1	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #56	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)=C1O[Si](C)(C)C	4821.9	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #57	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1=O	4848.6	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #58	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4806.3	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #59	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)=C1O[Si](C)(C)C	4781.9	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #6	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4928.9	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #60	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4830.4	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #61	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4803.9	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #62	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1=O	4950.0	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #63	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1=O	4959.1	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #64	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4957.4	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #65	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)=C1O[Si](C)(C)C	4897.4	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #66	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1=O	4942.5	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #67	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4903.8	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #68	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)=C1O[Si](C)(C)C	4864.6	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #69	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4936.8	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #7	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4894.2	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #70	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4892.3	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #71	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1=O	4957.8	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #72	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4934.1	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #73	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4897.8	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #74	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4923.5	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #75	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4898.2	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #76	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4931.2	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #77	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C1O[Si](C)(C)C	4894.7	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #8	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1=O	4895.0	Semi standard non polar	33892256
Apimaysin,3TMS,isomer #9	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1=O	4947.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #1	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)C1=O	4769.9	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #10	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4767.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #100	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4825.2	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #101	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4787.3	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #102	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4799.4	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #103	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4772.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #104	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4829.2	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #105	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4792.4	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #11	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4729.3	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #12	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1=O	4750.4	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #13	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4767.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #14	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4819.6	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #15	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4767.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #16	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4733.7	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #17	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4743.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #18	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4709.3	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #19	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4785.2	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #2	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1=O	4806.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #20	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4759.3	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #21	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1=O	4757.3	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #22	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1=O	4673.7	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #23	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4717.2	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #24	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4766.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #25	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4721.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #26	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1=O	4783.3	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #27	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4803.1	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #28	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4842.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #29	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4789.1	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #3	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1=O	4730.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #30	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4767.9	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #31	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4776.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #32	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4735.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #33	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4825.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #34	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4787.3	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #35	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1=O	4714.2	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #36	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4715.9	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #37	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4760.1	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #38	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4712.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #39	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4683.6	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #4	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4771.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #40	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4684.9	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #41	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4653.6	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #42	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4720.9	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #43	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4705.1	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #44	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4800.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #45	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4822.6	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #46	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4776.9	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #47	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4838.6	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #48	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4797.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #49	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4795.2	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #5	CC1=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4816.2	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #50	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4766.7	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #51	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)C1=O	4820.1	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #52	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)C1=O	4748.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #53	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)C1=O	4764.1	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #54	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4769.1	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #55	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)=C1O[Si](C)(C)C	4737.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #56	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1=O	4785.4	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #57	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1=O	4801.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #58	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4804.6	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #59	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)=C1O[Si](C)(C)C	4780.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #6	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C)=C1O[Si](C)(C)C	4769.2	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #60	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1=O	4773.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #61	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4731.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #62	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)=C1O[Si](C)(C)C	4729.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #63	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4768.6	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #64	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4768.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #65	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1=O	4735.1	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #66	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1=O	4745.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #67	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4761.7	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #68	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)=C1O[Si](C)(C)C	4729.4	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #69	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1=O	4704.7	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #7	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1=O	4765.6	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #70	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4685.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #71	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)=C1O[Si](C)(C)C	4678.7	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #72	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4713.9	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #73	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4713.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #74	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1=O	4765.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #75	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4758.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #76	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C1O[Si](C)(C)C	4739.6	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #77	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4767.0	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #78	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4754.2	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #79	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	4738.7	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #8	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1=O	4680.3	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #80	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4735.6	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #81	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1=O	4740.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #82	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1=O	4745.7	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #83	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4755.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #84	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O)C(O)=C1O[Si](C)(C)C	4723.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #85	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1=O	4714.4	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #86	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4677.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #87	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O)C(O)=C1O[Si](C)(C)C	4671.1	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #88	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4720.3	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #89	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4713.9	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #9	CC1OC(C2=C(O[Si](C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1=O	4716.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #90	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1=O	4717.8	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #91	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4709.7	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #92	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C1O[Si](C)(C)C	4690.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #93	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4711.9	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #94	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4703.7	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #95	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)O1	4675.4	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #96	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C1O[Si](C)(C)C	4682.5	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #97	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1=O	4800.9	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #98	CC1=C(O[Si](C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)O1	4813.3	Semi standard non polar	33892256
Apimaysin,4TMS,isomer #99	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C1O[Si](C)(C)C	4773.4	Semi standard non polar	33892256
Apimaysin,1TBDMS,isomer #1	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1=O	5353.7	Semi standard non polar	33892256
Apimaysin,1TBDMS,isomer #2	CC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	5302.5	Semi standard non polar	33892256
Apimaysin,1TBDMS,isomer #3	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	5311.7	Semi standard non polar	33892256
Apimaysin,1TBDMS,isomer #4	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	5331.0	Semi standard non polar	33892256
Apimaysin,1TBDMS,isomer #5	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1=O	5359.2	Semi standard non polar	33892256
Apimaysin,1TBDMS,isomer #6	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1=O	5369.7	Semi standard non polar	33892256
Apimaysin,1TBDMS,isomer #7	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1=O	5379.6	Semi standard non polar	33892256
Apimaysin,1TBDMS,isomer #8	CC1=C(O[Si](C)(C)C(C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	5300.4	Semi standard non polar	33892256
Apimaysin,1TBDMS,isomer #9	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)=C1O[Si](C)(C)C(C)(C)C	5269.7	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #1	CC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1=O	5427.8	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #10	CC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	5447.5	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #11	CC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1=O	5456.1	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #12	CC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1=O	5414.6	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #13	CC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1=O	5407.7	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #14	CC1=C(O[Si](C)(C)C(C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	5437.4	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #15	CC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)=C1O[Si](C)(C)C(C)(C)C	5380.8	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #16	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	5441.0	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #17	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1=O	5447.4	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #18	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1=O	5409.5	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #19	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1=O	5397.1	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #2	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1=O	5451.9	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #20	CC1=C(O[Si](C)(C)C(C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)O1	5399.4	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #21	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O)=C1O[Si](C)(C)C(C)(C)C	5344.4	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #22	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1=O	5481.3	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #23	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1=O	5438.4	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #24	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1=O	5434.6	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #25	CC1=C(O[Si](C)(C)C(C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=CC(=O)C3=C2O)O1	5492.2	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #26	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)=C1O[Si](C)(C)C(C)(C)C	5416.4	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #27	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1=O	5470.1	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #28	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1=O	5451.0	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #29	CC1=C(O[Si](C)(C)C(C)(C)C)C(O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	5447.2	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #3	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O[Si](C)(C)C(C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1=O	5422.6	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #30	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C1O[Si](C)(C)C(C)(C)C	5378.6	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #31	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1=O	5473.9	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #32	CC1=C(O[Si](C)(C)C(C)(C)C)C(O)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	5447.1	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #33	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C1O[Si](C)(C)C(C)(C)C	5383.4	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #34	CC1=C(O[Si](C)(C)C(C)(C)C)C(O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	5487.0	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #35	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=C1O[Si](C)(C)C(C)(C)C	5407.9	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #4	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1=O	5468.4	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #5	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1=O	5437.8	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #6	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1=O	5442.2	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #7	CC1=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC2OC(C)C(O)C(O)C2O)C(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)O1	5485.4	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #8	CC1OC(C2=C(O)C=C3OC(C4=CC=C(O)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C	5428.1	Semi standard non polar	33892256
Apimaysin,2TBDMS,isomer #9	CC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C=C3OC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)=CC(=O)C3=C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1=O	5445.1	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 - Apimaysin GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-6395870000-38045cba1ea5be4dade2	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (1 TMS) - 70eV, Positive	splash10-0aor-9231123000-154019f60620c8355ee5	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS ("Apimaysin,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Apimaysin GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	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 - Apimaysin 10V, Positive-QTOF	splash10-02td-0103790000-f96955e43bd2dfd05d14	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apimaysin 20V, Positive-QTOF	splash10-014j-1517910000-38b9b6e70c4c7b5379dc	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apimaysin 40V, Positive-QTOF	splash10-0002-2589100000-3bd6bdd719be0ed28ec2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apimaysin 10V, Negative-QTOF	splash10-0bt9-1111590000-aade2bcb41ea3aac38a6	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apimaysin 20V, Negative-QTOF	splash10-03di-7629830000-d5e5957c28a9484b1f19	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apimaysin 40V, Negative-QTOF	splash10-03dl-9737200000-87f708d8ae022d7fde15	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apimaysin 10V, Negative-QTOF	splash10-0a4i-0000090000-490f7effd82e20c0c625	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apimaysin 20V, Negative-QTOF	splash10-0a4i-0000090000-6e9165e1231d46726661	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apimaysin 40V, Negative-QTOF	splash10-0a4i-0902430000-d3270a1f35d94b1ea16e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apimaysin 10V, Positive-QTOF	splash10-03di-0000090000-f8069ac307d056a0dcc7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apimaysin 20V, Positive-QTOF	splash10-03di-0000090000-f8069ac307d056a0dcc7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Apimaysin 40V, Positive-QTOF	splash10-01ox-0300950000-7584f02088c4da06a87c	2021-09-23	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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

FDB016468

KNApSAcK ID

C00006394

Chemspider ID

168819

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

194566

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1860761

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.. .

Enzymes

Enzyme Details

1. Sulfotransferase family cytosolic 2B member 1

General function:: Involved in sulfotransferase activity
Specific function:: Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol.
Gene Name:: SULT2B1
Uniprot ID:: O00204
Molecular weight:: 39598.595

Reactions

Apimaysin → {2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl}oxidanesulfonic acid	details

Enzyme Details

2. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Reactions

Apimaysin → 6-[4-(5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4-oxo-4H-chromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Apimaysin → 3,4,5-trihydroxy-6-[(7-hydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl)oxy]oxane-2-carboxylic acid	details
Apimaysin → 3,4,5-trihydroxy-6-[(5-hydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy]oxane-2-carboxylic acid	details

Showing metabocard for Apimaysin (HMDB0037421)

MOL for HMDB0037421 (Apimaysin)

3D MOL for HMDB0037421 (Apimaysin)

3D SDF for HMDB0037421 (Apimaysin)

3D-SDF for HMDB0037421 (Apimaysin)

PDB for HMDB0037421 (Apimaysin)

3D PDB for HMDB0037421 (Apimaysin)

SMILES for HMDB0037421 (Apimaysin)

INCHI for HMDB0037421 (Apimaysin)

Structure for HMDB0037421 (Apimaysin)

3D Structure for HMDB0037421 (Apimaysin)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

Enzymes

Reactions

Reactions