Np mrd loader

Showing NP-Card for 2-(4-Methylphenyl)-2-propanol (NP0044922)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version2.0
Created at2022-03-10 18:51:10 UTC
Updated at2022-03-10 22:16:54 UTC
NP-MRD IDNP0044922
Secondary Accession NumbersNone
Natural Product Identification
Common Name2-(4-Methylphenyl)-2-propanol
Description2-(4-Methylphenyl)-2-propanol or 2-(4-Methylphenyl)propan-2-ol, also known as cymen-8-ol or 8-p-cymenol, belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. 2-(4-Methylphenyl)-2-propanol is an extremely weak basic (essentially neutral) compound (based on its pKa). 2-(4-Methylphenyl)-2-propanol is a sweet, camphor, and cherry tasting compound. Outside of the human body, 2-(4-Methylphenyl)-2-propanol is found, on average, in the highest concentration within a few different foods, such as wild carrots, carrots, and star anises and in a lower concentration in sweet marjorams, rosemaries, and parsley. 2-(4-Methylphenyl)-2-propanol has also been detected, but not quantified in, several different foods, such as fruits, citrus, garden tomato, garden tomato (var.), And common oregano. This could make 2-(4-methylphenyl)-2-propanol a potential biomarker for the consumption of these foods.
Structure
Thumb
MOL3D MOLSDFPDBSMILESInChI

MOL for NP0044922 (2-(4-Methylphenyl)-2-propanol )

Cymen-8-ol (p-)
  Mrv1652303202019022D          

 11 11  0  0  0  0            999 V2000
    0.7145    2.0625    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
    1.4289    0.8250    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
    0.7145   -0.4125    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
    0.0000    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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5  8  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
Download

3D MOL for NP0044922 (2-(4-Methylphenyl)-2-propanol )

     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.8700    0.4203    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3929    0.2725    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6843    0.5082    1.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3077    0.3851    1.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4218    0.0268    0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9047   -0.0947    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2741   -1.5497    0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5616    0.3778   -1.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3304    0.6504    1.2360 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2882   -0.2079   -1.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6629   -0.0858   -1.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3077   -0.5153    0.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2596    0.6084   -1.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1346    1.2411    0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2497    0.7881    2.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2280    0.5675    2.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4413   -1.9116    1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2149   -1.6396    0.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923   -2.1466   -0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6177   -0.4822   -1.8338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    1.2208   -1.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6033    0.7054   -0.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214    1.6192    1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506   -0.4938   -1.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374   -0.2645   -2.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5 10  1  0
 10 11  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
 10 24  1  0
 11 25  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
  9 23  1  0
M  END
Download

3D SDF for NP0044922 (2-(4-Methylphenyl)-2-propanol )

Cymen-8-ol (p-)
  Mrv1652303202019022D          

 11 11  0  0  0  0            999 V2000
    0.7145    2.0625    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
    1.4289    0.8250    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
    0.7145   -0.4125    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
    0.0000    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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5  8  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044922

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC=C(C=C1)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3

> <INCHI_KEY>
XLPDVYGDNRIQFV-UHFFFAOYSA-N

> <FORMULA>
C10H14O

> <MOLECULAR_WEIGHT>
150.221

> <EXACT_MASS>
150.104465071

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.76631584833486

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(4-methylphenyl)propan-2-ol

> <ALOGPS_LOGP>
2.53

> <JCHEM_LOGP>
2.4164691310000004

> <ALOGPS_LOGS>
-2.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.630987898518796

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9602058931878785

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
46.9721

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.22e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
terpineol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for NP0044922 (2-(4-Methylphenyl)-2-propanol )

Download
PDB for NP0044922 (2-(4-Methylphenyl)-2-propanol )
HEADER    PROTEIN                                 20-MAR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Cymen-8-ol (p-)                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-20         0                                  
HETATM    1  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   0.000   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   0.000   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  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.667  -1.540   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6    2                                                       
CONECT    8    9   10    5   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END

Download
3D PDB for NP0044922 (2-(4-Methylphenyl)-2-propanol )
Download
SMILES for NP0044922 (2-(4-Methylphenyl)-2-propanol )
CC1=CC=C(C=C1)C(C)(C)O
Download
INCHI for NP0044922 (2-(4-Methylphenyl)-2-propanol )
InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3
Download
View in JSmol
Synonyms
ValueSource
1-Methyl-4-(1-hydroxy-1-methylethyl)benzeneHMDB
1-Methyl-4-(alpha-hydroxyisopropyl)benzeneHMDB
2-(4-Methylphenyl)propan-2-olHMDB
2-(p-Methylphenyl)-2-propanolHMDB
2-p-Tolyl-2-propanolHMDB
8-Hydroxy-p-cymeneHMDB
8-p-CymenolHMDB
a,a,4-Trimethylbenzenemethanol, 9ciHMDB
a,a,4-Trimethylbenzyl alcohol, 8ciHMDB
a-Hydroxy-p-cymeneHMDB
alpha,alpha,4-Trimethyl-benzenemethanolHMDB
alpha,alpha,4-TrimethylbenzenemethanolHMDB
alpha,alpha,4-Trimethylbenzyl alcoholHMDB
Cimen-8-olHMDB
Cymen-8-olHMDB
Dimethyl-p-tolyl carbinolHMDB
Dimethyl-p-tolylcarbinolHMDB
FEMA 3242HMDB
Laquo rhoraquo -cymene-8-olHMDB
p,alpha,alpha-Trimethylbenzyl alcoholHMDB
p-(Hydroxyisopropyl)tolueneHMDB
p-Cymen-8-olHMDB
p-Cymen-alpha-olHMDB
p-Cymene-8-olHMDB
p-CymenolHMDB
p-Cymenol-8HMDB
p-Mentha-1,3,5-trien-8-olHMDB
Para-cymen-8-olHMDB
4-Cymen-8-olMeSH
Chemical FormulaC10H14O
Average Mass150.2210 Da
Monoisotopic Mass150.10447 Da
IUPAC Name2-(4-methylphenyl)propan-2-ol
Traditional Nameterpineol
CAS Registry Number1197-01-9
SMILES
CC1=CC=C(C=C1)C(C)(C)O
InChI Identifier
InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3
InChI KeyXLPDVYGDNRIQFV-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Abies sachalinensisLOTUS Database
Achillea abrotanoidesLOTUS Database
Achillea grandifoliaLOTUS Database
Agathosma betulinaLOTUS Database
Anethum graveolensFooDB
Angelica archangelicaLOTUS Database
Anthemis aciphyllaLOTUS Database
Anthemis aciphylla BOISS.var.discoidea BOISSPlant
Artemisia herba-albaLOTUS Database
Artemisia salsoloidesLOTUS Database
Aster scaberLOTUS Database
Baccharis dracunculifoliaLOTUS Database
Bothriochloa bladhiiLOTUS Database
Calamintha nepeta subsp. glandulosaPlant
Cannabis sativaNULL
      Not Available
Cedronella canariensisLOTUS Database
Chamaecyparis obtusaLOTUS Database
Chamaecyparis pisiferaLOTUS Database
Cinnamomum burmanniLOTUS Database
Citrus aurantiifoliaLOTUS Database
Citrus limonPlant
Citrus reticulataPlant
Citrus unshiuLOTUS Database
Commiphora gurrehLOTUS Database
Cryptomeria japonicaLOTUS Database
Curcuma amanda RoxbPlant
Curcuma longaPlant
Curcuma manggaPlant
Curcuma pierreanaLOTUS Database
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Dittrichia graveolensPlant
Echinophora orientalisLOTUS Database
Echinophora tenuifoliaLOTUS Database
Etlingera elatiorLOTUS Database
Eucalyptus blakelyiLOTUS Database
Eucalyptus brassianaLOTUS Database
Eucalyptus bridgesianaLOTUS Database
Eucalyptus cloezianaLOTUS Database
Eucalyptus dealbataLOTUS Database
Eucalyptus fasciculosaLOTUS Database
Eucalyptus forrestianaLOTUS Database
Eucalyptus paniculataLOTUS Database
Eucalyptus pulverulentaLOTUS Database
Eucalyptus radiataLOTUS Database
Hamamelis virginianaLOTUS Database
Illicium verumFooDB
Kunzea salinaLOTUS Database
Larix gmeliniLOTUS Database
Lavandula angustifoliaPlant
Lavandula canarien-sisPlant
Lavandula dentataPlant
Lavandula stoechasLOTUS Database
Leonotis leonurusLOTUS Database
Ligularia intermediaLOTUS Database
Ligusticum sinenseLOTUS Database
Lippia nodifloraLOTUS Database
Liquidambar styracifluaLOTUS Database
Mangifera indicaPlant
Melaleuca alternifoliaLOTUS Database
Mentha rotundifoliaLOTUS Database
Mentha spicataFooDB
Micromeria bifloraLOTUS Database
Micromeria cristataLOTUS Database
Myristica fragransFooDB
Myrtus communisLOTUS Database
Origanum acutidensLOTUS Database
Origanum hypericifoliumLOTUS Database
Origanum majoranaFooDB
Origanum sipyleumLOTUS Database
Origanum vulgareFooDB
Pelargonium quercifoliumLOTUS Database
Petroselinum crispumFooDB
Picea abiesLOTUS Database
Pimenta dioicaFooDB
Pimenta racemosaLOTUS Database
Pinus halepensisPlant
Pinus mugo subsp. MugoPlant
Pinus sibiricaPlant
Piper auritumLOTUS Database
Piper guineenseLOTUS Database
Piper nigrumLOTUS Database
Piper nigrum L.FooDB
Piper obliquumPlant
Pistacia veraLOTUS Database
Pityophthorus pityographusLOTUS Database
Plumeria rubraLOTUS Database
Polygala senegaLOTUS Database
Rhaponticum carthamoidesPlant
Salvia caespitosaLOTUS Database
Salvia officinalisFooDB
Salvia rosmarinusFooDB
Satureja cuneifoliaLOTUS Database
Senecio vulgarisPlant
Sideritis athoaLOTUS Database
Tanacetum macrophyllumPlant
Thuja occidentalisLOTUS Database
Thymbra spicataLOTUS Database
Thymus eigiiLOTUS Database
Thymus longicaulisLOTUS Database
Thymus quinquecostatusLOTUS Database
Thymus satureioidesLOTUS Database
Thymus vulgarisFooDB
Tipuana tipuPlant
Turnera diffusaPlant
Vaccinium vitis-idaeaLOTUS Database
Virola surinamensisLOTUS Database
Vitex agnus-castusLOTUS Database
Vitis viniferaLOTUS Database
Xylopia aromaticaLOTUS Database
Xylopia parvifloraPlant
Xylopia sericeaPlant
Zingiber officinaleFooDB
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
KingdomOrganic compounds  
Super ClassBenzenoids  
ClassBenzene and substituted derivatives  
Sub ClassPhenylpropanes  
Direct ParentPhenylpropanes  
Alternative Parents
Substituents
  • Phenylpropane
    • 

  • Toluene
    • 

  • Tertiary alcohol
    • 

  • Organic oxygen compound
    • 

  • Hydrocarbon derivative
    • 

  • Aromatic alcohol
    • 

  • Organooxygen compound
    • 

  • Alcohol
    • 

  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP2.53ALOGPS
logP2.42ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)14.63ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity46.97 m³·mol⁻¹ChemAxon
Polarizability17.77 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0029652  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB000826  
KNApSAcK IDC00030933  
Chemspider ID13872  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14529  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available