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Showing metabocard for Capillene (HMDB0034968)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:54:12 UTC
Update Date2022-03-07 02:54:18 UTC
HMDB IDHMDB0034968
Secondary Accession Numbers
  • HMDB34968
Metabolite Identification
Common NameCapillene
DescriptionCapillene belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Capillene has been detected, but not quantified in, herbs and spices. This could make capillene a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Capillene.
Structure
Data?1563862643
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0034968 (Capillene)


  Mrv0541 05061308102D          

 12 12  0  0  0  0            999 V2000
   -2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  3  0  0  0  0
  4  3  1  0  0  0  0
  6  4  3  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 12 10  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0034968 (Capillene)

HMDB0034968
     RDKit          3D
Capillene
 22 22  0  0  0  0  0  0  0  0999 V2000
    5.4784   -0.1907   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077   -0.0826    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9570   -0.0125    0.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6165    0.0585    0.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4631    0.1042    1.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9374    0.1428    1.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.0918    0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1136    1.2383   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483    1.2083   -1.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2496   -0.0061   -1.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8729   -1.1529   -1.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1367   -1.1217   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7973   -1.2654   -0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5034    0.1896   -1.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1634    0.4184    0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126    1.0682    2.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1262   -0.7801    2.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094    2.1869    0.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1535    2.0973   -1.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8326   -0.0624   -2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1990   -2.0980   -1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450   -2.0318    0.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  3  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END
Download

3D SDF for HMDB0034968 (Capillene)


  Mrv0541 05061308102D          

 12 12  0  0  0  0            999 V2000
   -2.8579    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  3  0  0  0  0
  4  3  1  0  0  0  0
  6  4  3  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 12 10  2  0  0  0  0
 12 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0034968

> <DATABASE_NAME>
hmdb

> <SMILES>
CC#CC#CCC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,9H2,1H3

> <INCHI_KEY>
WXQYRBLGGSLJHA-UHFFFAOYSA-N

> <FORMULA>
C12H10

> <MOLECULAR_WEIGHT>
154.2078

> <EXACT_MASS>
154.07825032

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
18.66074959778145

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexa-2,4-diyn-1-ylbenzene

> <ALOGPS_LOGP>
4.44

> <JCHEM_LOGP>
3.8789238596666666

> <ALOGPS_LOGS>
-4.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
52.827000000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.16e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hexa-2,4-diyn-1-ylbenzene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0034968 (Capillene)

HMDB0034968
     RDKit          3D
Capillene
 22 22  0  0  0  0  0  0  0  0999 V2000
    5.4784   -0.1907   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077   -0.0826    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9570   -0.0125    0.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6165    0.0585    0.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4631    0.1042    1.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9374    0.1428    1.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    0.0918    0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1136    1.2383   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483    1.2083   -1.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2496   -0.0061   -1.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8729   -1.1529   -1.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1367   -1.1217   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7973   -1.2654   -0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5034    0.1896   -1.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1634    0.4184    0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126    1.0682    2.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1262   -0.7801    2.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8094    2.1869    0.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1535    2.0973   -1.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8326   -0.0624   -2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1990   -2.0980   -1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8450   -2.0318    0.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  3  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END
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PDB for HMDB0034968 (Capillene)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -5.335   7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   5.390   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       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    6                                                       
CONECT    5    7    8                                                       
CONECT    6    4    9                                                       
CONECT    7    5   10                                                       
CONECT    8    5   11                                                       
CONECT    9    6   12                                                       
CONECT   10    7   12                                                       
CONECT   11    8   12                                                       
CONECT   12    9   10   11                                                  
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
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3D PDB for HMDB0034968 (Capillene)

COMPND    HMDB0034968
HETATM    1  C1  UNL     1       5.478  -0.191  -0.386  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.108  -0.083   0.095  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.957  -0.013   0.496  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.616   0.059   0.939  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.463   0.104   1.306  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.937   0.143   1.734  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.750   0.092   0.461  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.114   1.238  -0.189  1.00  0.00           C  
HETATM    9  C9  UNL     1      -2.848   1.208  -1.341  1.00  0.00           C  
HETATM   10  C10 UNL     1      -3.250  -0.006  -1.889  1.00  0.00           C  
HETATM   11  C11 UNL     1      -2.873  -1.153  -1.219  1.00  0.00           C  
HETATM   12  C12 UNL     1      -2.137  -1.122  -0.064  1.00  0.00           C  
HETATM   13  H1  UNL     1       5.797  -1.265  -0.358  1.00  0.00           H  
HETATM   14  H2  UNL     1       5.503   0.190  -1.421  1.00  0.00           H  
HETATM   15  H3  UNL     1       6.163   0.418   0.231  1.00  0.00           H  
HETATM   16  H4  UNL     1      -1.213   1.068   2.241  1.00  0.00           H  
HETATM   17  H5  UNL     1      -1.126  -0.780   2.319  1.00  0.00           H  
HETATM   18  H6  UNL     1      -1.809   2.187   0.224  1.00  0.00           H  
HETATM   19  H7  UNL     1      -3.154   2.097  -1.882  1.00  0.00           H  
HETATM   20  H8  UNL     1      -3.833  -0.062  -2.801  1.00  0.00           H  
HETATM   21  H9  UNL     1      -3.199  -2.098  -1.667  1.00  0.00           H  
HETATM   22  H10 UNL     1      -1.845  -2.032   0.456  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3    3    3
CONECT    3    4
CONECT    4    5    5    5
CONECT    5    6
CONECT    6    7   16   17
CONECT    7    8    8   12
CONECT    8    9   18
CONECT    9   10   10   19
CONECT   10   11   20
CONECT   11   12   12   21
CONECT   12   22
END
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SMILES for HMDB0034968 (Capillene)

CC#CC#CCC1=CC=CC=C1
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INCHI for HMDB0034968 (Capillene)

InChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,9H2,1H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2,4-Hexadiynyl-benzeneHMDB
2,4-Hexadiynylbenzene, 9ciHMDB
AgropyreneHMDB
CapillenHMDB
CapillineHMDB
Chemical FormulaC12H10
Average Molecular Weight154.2078
Monoisotopic Molecular Weight154.07825032
IUPAC Namehexa-2,4-diyn-1-ylbenzene
Traditional Namehexa-2,4-diyn-1-ylbenzene
CAS Registry Number520-74-1
SMILES
CC#CC#CCC1=CC=CC=C1
InChI Identifier
InChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,9H2,1H3
InChI KeyWXQYRBLGGSLJHA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassNot Available
Direct ParentBenzene and substituted derivatives
Alternative Parents
Substituents
  • Monocyclic benzene moiety
  • Aromatic hydrocarbon
  • Unsaturated hydrocarbon
  • Acetylene
  • Hydrocarbon
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point0 °CNot Available
Boiling Point140.00 to 143.00 °C. @ 10.00 mm HgThe Good Scents Company Information System
Water Solubility22.99 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.012 g/LALOGPS
logP4.44ALOGPS
logP3.88ChemAxon
logS-4.1ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity52.83 m³·mol⁻¹ChemAxon
Polarizability18.66 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
DarkChem[M+H]+139.07431661259
DarkChem[M-H]-137.24131661259
DeepCCS[M+H]+127.47830932474
DeepCCS[M-H]-124.01230932474
DeepCCS[M-2H]-161.0830932474
DeepCCS[M+Na]+136.50730932474
AllCCS[M+H]+128.832859911
AllCCS[M+H-H2O]+124.232859911
AllCCS[M+NH4]+133.232859911
AllCCS[M+Na]+134.432859911
AllCCS[M-H]-128.132859911
AllCCS[M+Na-2H]-128.732859911
AllCCS[M+HCOO]-129.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
CapilleneCC#CC#CCC1=CC=CC=C12161.7Standard polar33892256
CapilleneCC#CC#CCC1=CC=CC=C11542.4Standard non polar33892256
CapilleneCC#CC#CCC1=CC=CC=C11451.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Capillene GC-MS (Non-derivatized) - 70eV, Positivesplash10-0w2l-6900000000-466dbcda9cd8893ed88f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Capillene GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Capillene 10V, Positive-QTOFsplash10-0a4i-0900000000-3add4f76e9a8670f90ba2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Capillene 20V, Positive-QTOFsplash10-0a4i-5900000000-94b55e48c3ffdc9c6ab72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Capillene 40V, Positive-QTOFsplash10-0ftf-9300000000-bf0aeca646ed1e1c35792016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Capillene 10V, Negative-QTOFsplash10-0udi-0900000000-9d61143f0c2a2bc735e52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Capillene 20V, Negative-QTOFsplash10-0udi-1900000000-658848aab699ba938ad92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Capillene 40V, Negative-QTOFsplash10-004i-9400000000-4db64153b469187f40432016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Capillene 10V, Positive-QTOFsplash10-0006-9200000000-41aa349d192ebbe5f9822021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Capillene 20V, Positive-QTOFsplash10-0ffx-9300000000-357c303ca0471cf029582021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Capillene 40V, Positive-QTOFsplash10-0w4i-9300000000-3fb3aee9cccb8208bee02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Capillene 10V, Negative-QTOFsplash10-0udi-0900000000-8b214a52c8e78f3210f42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Capillene 20V, Negative-QTOFsplash10-0udi-3900000000-55b165c2f376a4848b4b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Capillene 40V, Negative-QTOFsplash10-0fb9-7900000000-68698216c331fa7968eb2021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
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 IDFDB013565
KNApSAcK IDC00000329
Chemspider ID2340790
KEGG Compound IDC16927
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3083613
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1009621
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .