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Showing metabocard for (+)-m-Mentha-1(6),8-diene (HMDB0302840)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 21:04:40 UTC
Update Date2021-09-23 21:04:40 UTC
HMDB IDHMDB0302840
Secondary Accession NumbersNone
Metabolite Identification
Common Name(+)-m-Mentha-1(6),8-diene
Description(+)-m-mentha-1(6),8-diene is a member of the class of compounds known as monocyclic monoterpenoids. Monocyclic monoterpenoids are monoterpenoids containing 1 ring in the isoprene chain (+)-m-mentha-1(6),8-diene can be found in parsley, which makes (+)-m-mentha-1(6),8-diene a potential biomarker for the consumption of this food product.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302840 ((+)-m-Mentha-1(6),8-diene)


  Mrv1652309272007322D          

 10 10  0  0  0  0            999 V2000
    0.6919    3.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0225    2.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0225    2.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6919    1.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064    2.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064    2.9683    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7370    3.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1209    3.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1209    4.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8354    2.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  6  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
Download

3D MOL for HMDB0302840 ((+)-m-Mentha-1(6),8-diene)

HMDB0302840
     RDKit          3D
(+)-m-Mentha-1(6),8-diene
 26 26  0  0  0  0  0  0  0  0999 V2000
    1.9851    0.3547    1.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614   -0.3448    0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5852   -1.5772    0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7559    0.1086   -0.2473 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2567    1.4629    0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7651    2.0082   -0.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9177    1.0803   -0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7038   -0.2116   -0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9101   -1.1058   -0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3677   -0.8407   -0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.2581    2.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334    0.0388    2.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5791   -1.8318   -0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293   -1.2856    0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2683   -2.4077    1.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2926    0.3028   -1.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049    1.3241    1.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    2.1439    0.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2877    2.0346   -1.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0267    3.0217   -0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9328    1.4377   -0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7789   -0.5395   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144   -1.9041    0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872   -1.5110   -1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4474   -1.6431    0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1817   -1.3733   -1.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10  4  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  6
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  9 22  1  0
  9 23  1  0
  9 24  1  0
 10 25  1  0
 10 26  1  0
M  END
Download

3D SDF for HMDB0302840 ((+)-m-Mentha-1(6),8-diene)


  Mrv1652309272007322D          

 10 10  0  0  0  0            999 V2000
    0.6919    3.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0225    2.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0225    2.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6919    1.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064    2.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064    2.9683    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7370    3.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1209    3.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1209    4.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8354    2.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  6  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0302840

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=C)[C@@H]1CCC=C(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3/t10-/m1/s1

> <INCHI_KEY>
JWQKMEKSFPNAIB-SNVBAGLBSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.239218708718298

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5R)-1-methyl-5-(prop-1-en-2-yl)cyclohex-1-ene

> <ALOGPS_LOGP>
4.50

> <JCHEM_LOGP>
3.2198126516666665

> <ALOGPS_LOGS>
-2.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
46.4803

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.59e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5R)-1-methyl-5-(prop-1-en-2-yl)cyclohex-1-ene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0302840 ((+)-m-Mentha-1(6),8-diene)

HMDB0302840
     RDKit          3D
(+)-m-Mentha-1(6),8-diene
 26 26  0  0  0  0  0  0  0  0999 V2000
    1.9851    0.3547    1.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614   -0.3448    0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5852   -1.5772    0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7559    0.1086   -0.2473 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2567    1.4629    0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7651    2.0082   -0.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9177    1.0803   -0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7038   -0.2116   -0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9101   -1.1058   -0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3677   -0.8407   -0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667    1.2581    2.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334    0.0388    2.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5791   -1.8318   -0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293   -1.2856    0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2683   -2.4077    1.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2926    0.3028   -1.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049    1.3241    1.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1125    2.1439    0.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2877    2.0346   -1.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0267    3.0217   -0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9328    1.4377   -0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7789   -0.5395   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7144   -1.9041    0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872   -1.5110   -1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4474   -1.6431    0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1817   -1.3733   -1.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10  4  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  6
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  9 22  1  0
  9 23  1  0
  9 24  1  0
 10 25  1  0
 10 26  1  0
M  END
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PDB for HMDB0302840 ((+)-m-Mentha-1(6),8-diene)

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0       1.292   6.311   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.042   5.541   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.042   4.001   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.292   3.231   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.625   4.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.625   5.541   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.376   6.311   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.959   6.311   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.959   7.851   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.293   5.541   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    1    5    8                                                  
CONECT    7    2                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0302840 ((+)-m-Mentha-1(6),8-diene)

COMPND    HMDB0302840
HETATM    1  C1  UNL     1       1.985   0.355   1.799  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.761  -0.345   0.707  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.585  -1.577   0.540  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.756   0.109  -0.247  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.257   1.463   0.182  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.765   2.008  -0.805  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.918   1.080  -0.760  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.704  -0.212  -0.615  1.00  0.00           C  
HETATM    9  C9  UNL     1      -2.910  -1.106  -0.575  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.368  -0.841  -0.490  1.00  0.00           C  
HETATM   11  H1  UNL     1       1.467   1.258   2.045  1.00  0.00           H  
HETATM   12  H2  UNL     1       2.733   0.039   2.531  1.00  0.00           H  
HETATM   13  H3  UNL     1       2.579  -1.832  -0.540  1.00  0.00           H  
HETATM   14  H4  UNL     1       3.629  -1.286   0.789  1.00  0.00           H  
HETATM   15  H5  UNL     1       2.268  -2.408   1.166  1.00  0.00           H  
HETATM   16  H6  UNL     1       1.293   0.303  -1.228  1.00  0.00           H  
HETATM   17  H7  UNL     1      -0.305   1.324   1.128  1.00  0.00           H  
HETATM   18  H8  UNL     1       1.113   2.144   0.288  1.00  0.00           H  
HETATM   19  H9  UNL     1      -0.288   2.035  -1.785  1.00  0.00           H  
HETATM   20  H10 UNL     1      -1.027   3.022  -0.458  1.00  0.00           H  
HETATM   21  H11 UNL     1      -2.933   1.438  -0.844  1.00  0.00           H  
HETATM   22  H12 UNL     1      -3.779  -0.540  -0.216  1.00  0.00           H  
HETATM   23  H13 UNL     1      -2.714  -1.904   0.173  1.00  0.00           H  
HETATM   24  H14 UNL     1      -3.087  -1.511  -1.597  1.00  0.00           H  
HETATM   25  H15 UNL     1      -0.447  -1.643   0.270  1.00  0.00           H  
HETATM   26  H16 UNL     1      -0.182  -1.373  -1.456  1.00  0.00           H  
CONECT    1    2    2   11   12
CONECT    2    3    4
CONECT    3   13   14   15
CONECT    4    5   10   16
CONECT    5    6   17   18
CONECT    6    7   19   20
CONECT    7    8    8   21
CONECT    8    9   10
CONECT    9   22   23   24
CONECT   10   25   26
END
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SMILES for HMDB0302840 ((+)-m-Mentha-1(6),8-diene)

CC(=C)[C@@H]1CCC=C(C)C1
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INCHI for HMDB0302840 ((+)-m-Mentha-1(6),8-diene)

InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3/t10-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(R)-(+)-m-Mentha-6,8-dienePhytoBank
(5R)-1-Methyl-5-(1-methylethenyl)cyclohexenePhytoBank
(+)-SylvestrenePhytoBank
(+)-m-Mentha-1(6),8-dienePhytoBank
d-SylvestrenePhytoBank
Chemical FormulaC10H16
Average Molecular Weight136.234
Monoisotopic Molecular Weight136.125200512
IUPAC Name(5R)-1-methyl-5-(prop-1-en-2-yl)cyclohex-1-ene
Traditional Name(5R)-1-methyl-5-(prop-1-en-2-yl)cyclohex-1-ene
CAS Registry NumberNot Available
SMILES
CC(=C)[C@@H]1CCC=C(C)C1
InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3/t10-/m1/s1
InChI KeyJWQKMEKSFPNAIB-SNVBAGLBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentMonocyclic monoterpenoids
Alternative Parents
Substituents
  • Monocyclic monoterpenoid
  • Branched unsaturated hydrocarbon
  • Cycloalkene
  • Cyclic olefin
  • Unsaturated aliphatic hydrocarbon
  • Unsaturated hydrocarbon
  • Olefin
  • Hydrocarbon
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP4.5ALOGPS
logP3.22ChemAxon
logS-2.7ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity46.48 m³·mol⁻¹ChemAxon
Polarizability17.24 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+127.10232859911
AllCCS[M+H-H2O]+122.47632859911
AllCCS[M+Na]+132.66632859911
AllCCS[M+NH4]+131.41932859911
AllCCS[M-H]-130.46632859911
AllCCS[M+Na-2H]-132.26532859911
AllCCS[M+HCOO]-134.30232859911
DeepCCS[M+H]+138.26130932474
DeepCCS[M-H]-135.86530932474
DeepCCS[M-2H]-171.18530932474
DeepCCS[M+Na]+145.63830932474

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 202217.2827 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20222.2 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid2206.5 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid633.7 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid247.2 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid433.5 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid348.8 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid654.2 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid750.7 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)177.3 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid1502.4 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid515.1 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1407.4 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid527.9 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid451.8 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate566.5 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA572.2 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water21.3 seconds40023050

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-m-Mentha-1(6),8-diene 10V, Positive-QTOFsplash10-000i-2900000000-e793caed47311415f4d82016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-m-Mentha-1(6),8-diene 20V, Positive-QTOFsplash10-000j-9500000000-b91a9ba6640a1f9d02792016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-m-Mentha-1(6),8-diene 40V, Positive-QTOFsplash10-0gb9-9100000000-8b12fff2a370d64bd6282016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-m-Mentha-1(6),8-diene 10V, Negative-QTOFsplash10-000i-0900000000-5a0b64dee9fe79ff39232016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-m-Mentha-1(6),8-diene 20V, Negative-QTOFsplash10-000i-0900000000-e426479890fac552e3932016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-m-Mentha-1(6),8-diene 40V, Negative-QTOFsplash10-014i-6900000000-bd4b606b83323cbca42e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-m-Mentha-1(6),8-diene 10V, Positive-QTOFsplash10-0002-9100000000-11076100e39381d4ccc52021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-m-Mentha-1(6),8-diene 20V, Positive-QTOFsplash10-014m-9000000000-d3836466026c145df1052021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-m-Mentha-1(6),8-diene 40V, Positive-QTOFsplash10-002f-9000000000-a77b917d578e4fb0eb7f2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-m-Mentha-1(6),8-diene 10V, Negative-QTOFsplash10-000i-0900000000-a013b4ae27f975ab56212021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-m-Mentha-1(6),8-diene 20V, Negative-QTOFsplash10-000i-0900000000-a013b4ae27f975ab56212021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+)-m-Mentha-1(6),8-diene 40V, Negative-QTOFsplash10-014l-8900000000-ca56d7731848e941aae22021-10-21Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB006459
KNApSAcK IDC00053806
Chemspider ID19975472
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound12304570
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available