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Showing metabocard for beta-Fenchene (HMDB0302491)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 18:10:45 UTC
Update Date2021-09-23 18:10:45 UTC
HMDB IDHMDB0302491
Secondary Accession NumbersNone
Metabolite Identification
Common Namebeta-Fenchene
DescriptionBeta-fenchene is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Beta-fenchene can be found in caraway and rosemary, which makes beta-fenchene a potential biomarker for the consumption of these food products.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302491 (beta-Fenchene)


  Mrv0541 02241220492D          

 10 11  0  0  0  0            999 V2000
    0.2522   -2.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1351   -2.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004   -1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1407   -0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106   -1.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6411   -2.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9362   -1.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7243   -1.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764   -1.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2 10  1  0  0  0  0
M  END
Download

3D MOL for HMDB0302491 (beta-Fenchene)

HMDB0302491
     RDKit          3D
beta-Fenchene
 26 27  0  0  0  0  0  0  0  0999 V2000
    2.6981   -1.4727   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7114   -0.7399   -0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347   -1.0888    0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0654    0.1390    1.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9341    1.2253    0.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2254    0.5780   -0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2008    0.4956   -1.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0691    0.2433    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -1.0224   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0121    1.3655    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3016   -1.1409   -1.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9888   -2.4341   -0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4114   -1.1684    1.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2600   -1.9988    0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4155    0.2666    2.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4604    2.1967    0.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379    1.1924    1.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8996    1.1462   -1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3259   -0.3329   -1.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4629    1.4828   -1.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6943   -0.7556   -0.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -1.3102    0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2936   -1.8303   -0.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0420    1.5597    1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0523    1.0787   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7194    2.3252   -0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  6  2  1  0
  8  4  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 10 26  1  0
M  END
Download

3D SDF for HMDB0302491 (beta-Fenchene)


  Mrv0541 02241220492D          

 10 11  0  0  0  0            999 V2000
    0.2522   -2.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1351   -2.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004   -1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1407   -0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106   -1.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6411   -2.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9362   -1.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7243   -1.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764   -1.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0302491

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1(C)CC2CC1CC2=C

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-7-4-9-5-8(7)6-10(9,2)3/h8-9H,1,4-6H2,2-3H3

> <INCHI_KEY>
NJZUUYADLXBQPA-UHFFFAOYSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
17.070372531261015

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,2-dimethyl-5-methylidenebicyclo[2.2.1]heptane

> <ALOGPS_LOGP>
4.09

> <JCHEM_LOGP>
2.859595116666666

> <ALOGPS_LOGS>
-3.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
43.6498

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.17e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,2-dimethyl-5-methylidenebicyclo[2.2.1]heptane

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0302491 (beta-Fenchene)

HMDB0302491
     RDKit          3D
beta-Fenchene
 26 27  0  0  0  0  0  0  0  0999 V2000
    2.6981   -1.4727   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7114   -0.7399   -0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347   -1.0888    0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0654    0.1390    1.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9341    1.2253    0.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2254    0.5780   -0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2008    0.4956   -1.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0691    0.2433    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -1.0224   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0121    1.3655    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3016   -1.1409   -1.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9888   -2.4341   -0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4114   -1.1684    1.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2600   -1.9988    0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4155    0.2666    2.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4604    2.1967    0.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379    1.1924    1.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8996    1.1462   -1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3259   -0.3329   -1.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4629    1.4828   -1.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6943   -0.7556   -0.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3483   -1.3102    0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2936   -1.8303   -0.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0420    1.5597    1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0523    1.0787   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7194    2.3252   -0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  6  2  1  0
  8  4  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 10 26  1  0
M  END
Download

PDB for HMDB0302491 (beta-Fenchene)

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       0.471  -5.370   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.252  -3.846   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.934  -2.613   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.129  -1.772   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.831  -0.250   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.700  -3.117   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.063  -3.808   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.614  -2.641   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.085  -2.185   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.263  -3.568   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    6   10                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    2    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    4    9                                                  
CONECT    9    8                                                            
CONECT   10    2                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   22    0
END
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3D PDB for HMDB0302491 (beta-Fenchene)

COMPND    HMDB0302491
HETATM    1  C1  UNL     1       2.698  -1.473  -0.708  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.711  -0.740  -0.239  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.835  -1.089   0.909  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.065   0.139   1.101  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.934   1.225   0.660  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.225   0.578  -0.709  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.201   0.496  -1.225  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.069   0.243   0.007  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.862  -1.022  -0.203  1.00  0.00           C  
HETATM   10  C10 UNL     1      -2.012   1.365   0.270  1.00  0.00           C  
HETATM   11  H1  UNL     1       3.302  -1.141  -1.565  1.00  0.00           H  
HETATM   12  H2  UNL     1       2.989  -2.434  -0.300  1.00  0.00           H  
HETATM   13  H3  UNL     1       1.411  -1.168   1.865  1.00  0.00           H  
HETATM   14  H4  UNL     1       0.260  -1.999   0.762  1.00  0.00           H  
HETATM   15  H5  UNL     1      -0.416   0.267   2.106  1.00  0.00           H  
HETATM   16  H6  UNL     1       0.460   2.197   0.552  1.00  0.00           H  
HETATM   17  H7  UNL     1       1.838   1.192   1.274  1.00  0.00           H  
HETATM   18  H8  UNL     1       1.900   1.146  -1.314  1.00  0.00           H  
HETATM   19  H9  UNL     1      -0.326  -0.333  -1.954  1.00  0.00           H  
HETATM   20  H10 UNL     1      -0.463   1.483  -1.626  1.00  0.00           H  
HETATM   21  H11 UNL     1      -2.694  -0.756  -0.912  1.00  0.00           H  
HETATM   22  H12 UNL     1      -2.348  -1.310   0.754  1.00  0.00           H  
HETATM   23  H13 UNL     1      -1.294  -1.830  -0.677  1.00  0.00           H  
HETATM   24  H14 UNL     1      -2.042   1.560   1.375  1.00  0.00           H  
HETATM   25  H15 UNL     1      -3.052   1.079  -0.000  1.00  0.00           H  
HETATM   26  H16 UNL     1      -1.719   2.325  -0.202  1.00  0.00           H  
CONECT    1    2    2   11   12
CONECT    2    3    6
CONECT    3    4   13   14
CONECT    4    5    8   15
CONECT    5    6   16   17
CONECT    6    7   18
CONECT    7    8   19   20
CONECT    8    9   10
CONECT    9   21   22   23
CONECT   10   24   25   26
END
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SMILES for HMDB0302491 (beta-Fenchene)

CC1(C)CC2CC1CC2=C
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INCHI for HMDB0302491 (beta-Fenchene)

InChI=1S/C10H16/c1-7-4-9-5-8(7)6-10(9,2)3/h8-9H,1,4-6H2,2-3H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
b-FencheneGenerator
Β-fencheneGenerator
Chemical FormulaC10H16
Average Molecular Weight136.234
Monoisotopic Molecular Weight136.125200512
IUPAC Name2,2-dimethyl-5-methylidenebicyclo[2.2.1]heptane
Traditional Name2,2-dimethyl-5-methylidenebicyclo[2.2.1]heptane
CAS Registry NumberNot Available
SMILES
CC1(C)CC2CC1CC2=C
InChI Identifier
InChI=1S/C10H16/c1-7-4-9-5-8(7)6-10(9,2)3/h8-9H,1,4-6H2,2-3H3
InChI KeyNJZUUYADLXBQPA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentBicyclic monoterpenoids
Alternative Parents
Substituents
  • Bicyclic monoterpenoid
  • Branched unsaturated hydrocarbon
  • Polycyclic hydrocarbon
  • Cyclic olefin
  • Unsaturated aliphatic hydrocarbon
  • Unsaturated hydrocarbon
  • Olefin
  • Hydrocarbon
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic 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
logP4.09ALOGPS
logP2.86ChemAxon
logS-3.3ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity43.65 m³·mol⁻¹ChemAxon
Polarizability17.07 ųChemAxon
Number of Rings2ChemAxon
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]+127.66432859911
AllCCS[M+H-H2O]+123.09932859911
AllCCS[M+Na]+133.15132859911
AllCCS[M+NH4]+131.92232859911
AllCCS[M-H]-133.55932859911
AllCCS[M+Na-2H]-135.032859911
AllCCS[M+HCOO]-136.64732859911
DeepCCS[M+H]+135.01730932474
DeepCCS[M-H]-132.05930932474
DeepCCS[M-2H]-168.92230932474
DeepCCS[M+Na]+144.03530932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Fenchene 10V, Positive-QTOFsplash10-000i-0900000000-b891bc9aca3e4b9cbdde2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Fenchene 20V, Positive-QTOFsplash10-000i-2900000000-8d76a5922a92dab98b3e2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Fenchene 40V, Positive-QTOFsplash10-0pdl-9100000000-b451f0ca472fca6652ea2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Fenchene 10V, Negative-QTOFsplash10-000i-0900000000-fe9c6cb701678f08a4fa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Fenchene 20V, Negative-QTOFsplash10-000i-0900000000-fe9c6cb701678f08a4fa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Fenchene 40V, Negative-QTOFsplash10-014r-4900000000-b07621a04d60046e6d672016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Fenchene 10V, Positive-QTOFsplash10-0041-9200000000-b04906d8a2eaed4c30df2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Fenchene 20V, Positive-QTOFsplash10-054n-9000000000-5985be902b51b9e4e9e02021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Fenchene 40V, Positive-QTOFsplash10-004l-9000000000-568991ce648d9d8a4b542021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Fenchene 10V, Negative-QTOFsplash10-000i-0900000000-a013b4ae27f975ab56212021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Fenchene 20V, Negative-QTOFsplash10-000i-0900000000-a013b4ae27f975ab56212021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Fenchene 40V, Negative-QTOFsplash10-000i-0900000000-51770634b035a070b59f2021-10-21Wishart 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 IDFDB004778
KNApSAcK IDC00052875
Chemspider ID91905
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound101717
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