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Showing metabocard for 2-Methylthio-3-isopropylpyrazine (HMDB0303026)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 22:42:56 UTC
Update Date2021-09-23 22:42:58 UTC
HMDB IDHMDB0303026
Secondary Accession NumbersNone
Metabolite Identification
Common Name2-Methylthio-3-isopropylpyrazine
Description2-methylthio-3-isopropylpyrazine is a member of the class of compounds known as aryl thioethers. Aryl thioethers are organosulfur compounds containing a thioether group that is substituted by an aryl group. 2-methylthio-3-isopropylpyrazine is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-methylthio-3-isopropylpyrazine can be found in fenugreek, which makes 2-methylthio-3-isopropylpyrazine a potential biomarker for the consumption of this food product.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0303026 (2-Methylthio-3-isopropylpyrazine)


  Mrv1533007131513482D          

 11 11  0  0  0  0            999 V2000
   -1.4289    0.8250    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
    0.0000    2.4750    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
    1.4289    0.0000    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
    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
   -0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
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3D MOL for HMDB0303026 (2-Methylthio-3-isopropylpyrazine)

HMDB0303026
     RDKit          3D
2-Methylthio-3-isopropylpyrazine
 23 23  0  0  0  0  0  0  0  0999 V2000
    2.6927   -1.8267    0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5064   -0.8915    1.5799 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9736    0.5894    0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5751    1.7845    0.8439 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0896    2.8495    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090    2.7437   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6028    1.5452   -0.7725 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1302    0.4834   -0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8599   -0.8096   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8199   -0.6841   -1.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955   -0.8693    0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2154   -2.5465    1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3546   -1.1902   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1223   -2.4376   -0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5740    3.8302    0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3946    3.6112   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2261   -1.6858   -0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7176   -1.2933   -1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094   -1.0730   -2.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0443    0.4028   -1.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7322   -1.4439    0.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819    0.1610    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2804   -1.2496    1.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  5 15  1  0
  6 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END
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3D SDF for HMDB0303026 (2-Methylthio-3-isopropylpyrazine)


  Mrv1533007131513482D          

 11 11  0  0  0  0            999 V2000
   -1.4289    0.8250    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
    0.0000    2.4750    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
    1.4289    0.0000    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
    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
   -0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  5  2  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0303026

> <DATABASE_NAME>
hmdb

> <SMILES>
CSC1=C(N=CC=N1)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C8H12N2S/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3

> <INCHI_KEY>
MUSIVZZZFRJWGI-UHFFFAOYSA-N

> <FORMULA>
C8H12N2S

> <MOLECULAR_WEIGHT>
168.26

> <EXACT_MASS>
168.072119568

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
18.43895695209302

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(methylsulfanyl)-3-(propan-2-yl)pyrazine

> <ALOGPS_LOGP>
2.45

> <JCHEM_LOGP>
2.1354679246666666

> <ALOGPS_LOGS>
-1.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.6513630521906844

> <JCHEM_POLAR_SURFACE_AREA>
25.78

> <JCHEM_REFRACTIVITY>
48.6095

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.97e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-isopropyl-3-(methylsulfanyl)pyrazine

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0303026 (2-Methylthio-3-isopropylpyrazine)

HMDB0303026
     RDKit          3D
2-Methylthio-3-isopropylpyrazine
 23 23  0  0  0  0  0  0  0  0999 V2000
    2.6927   -1.8267    0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5064   -0.8915    1.5799 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9736    0.5894    0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5751    1.7845    0.8439 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0896    2.8495    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090    2.7437   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6028    1.5452   -0.7725 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1302    0.4834   -0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8599   -0.8096   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8199   -0.6841   -1.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955   -0.8693    0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2154   -2.5465    1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3546   -1.1902   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1223   -2.4376   -0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5740    3.8302    0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3946    3.6112   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2261   -1.6858   -0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7176   -1.2933   -1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094   -1.0730   -2.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0443    0.4028   -1.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7322   -1.4439    0.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819    0.1610    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2804   -1.2496    1.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  5 15  1  0
  6 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END
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PDB for HMDB0303026 (2-Methylthio-3-isopropylpyrazine)

HEADER    PROTEIN                                 13-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-JUL-15         0                                  
HETATM    1  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   2.310   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  N   UNK     0      -0.000   0.000   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0       2.667   1.540   0.000  0.00  0.00           N+0
HETATM   11  S   UNK     0       1.334   3.850   0.000  0.00  0.00           S+0
CONECT    1    6                                                            
CONECT    2    6                                                            
CONECT    3   11                                                            
CONECT    4    5    9                                                       
CONECT    5    4   10                                                       
CONECT    6    1    2    7                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7   10   11                                                  
CONECT    9    4    7                                                       
CONECT   10    5    8                                                       
CONECT   11    3    8                                                       
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END
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3D PDB for HMDB0303026 (2-Methylthio-3-isopropylpyrazine)

COMPND    HMDB0303026
HETATM    1  C1  UNL     1       2.693  -1.827   0.551  1.00  0.00           C  
HETATM    2  S1  UNL     1       1.506  -0.891   1.580  1.00  0.00           S  
HETATM    3  C2  UNL     1       0.974   0.589   0.740  1.00  0.00           C  
HETATM    4  N1  UNL     1       1.575   1.784   0.844  1.00  0.00           N  
HETATM    5  C3  UNL     1       1.090   2.850   0.143  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.009   2.744  -0.676  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.603   1.545  -0.773  1.00  0.00           N  
HETATM    8  C5  UNL     1      -0.130   0.483  -0.084  1.00  0.00           C  
HETATM    9  C6  UNL     1      -0.860  -0.810  -0.248  1.00  0.00           C  
HETATM   10  C7  UNL     1      -1.820  -0.684  -1.435  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.795  -0.869   0.975  1.00  0.00           C  
HETATM   12  H1  UNL     1       3.215  -2.546   1.223  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.355  -1.190  -0.032  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.122  -2.438  -0.212  1.00  0.00           H  
HETATM   15  H4  UNL     1       1.574   3.830   0.218  1.00  0.00           H  
HETATM   16  H5  UNL     1      -0.395   3.611  -1.237  1.00  0.00           H  
HETATM   17  H6  UNL     1      -0.226  -1.686  -0.312  1.00  0.00           H  
HETATM   18  H7  UNL     1      -2.718  -1.293  -1.202  1.00  0.00           H  
HETATM   19  H8  UNL     1      -1.309  -1.073  -2.343  1.00  0.00           H  
HETATM   20  H9  UNL     1      -2.044   0.403  -1.535  1.00  0.00           H  
HETATM   21  H10 UNL     1      -2.732  -1.444   0.725  1.00  0.00           H  
HETATM   22  H11 UNL     1      -2.182   0.161   1.215  1.00  0.00           H  
HETATM   23  H12 UNL     1      -1.280  -1.250   1.875  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5
CONECT    5    6    6   15
CONECT    6    7   16
CONECT    7    8    8
CONECT    8    9
CONECT    9   10   11   17
CONECT   10   18   19   20
CONECT   11   21   22   23
END
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SMILES for HMDB0303026 (2-Methylthio-3-isopropylpyrazine)

CSC1=C(N=CC=N1)C(C)C
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INCHI for HMDB0303026 (2-Methylthio-3-isopropylpyrazine)

InChI=1S/C8H12N2S/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC8H12N2S
Average Molecular Weight168.26
Monoisotopic Molecular Weight168.072119568
IUPAC Name2-(methylsulfanyl)-3-(propan-2-yl)pyrazine
Traditional Name2-isopropyl-3-(methylsulfanyl)pyrazine
CAS Registry NumberNot Available
SMILES
CSC1=C(N=CC=N1)C(C)C
InChI Identifier
InChI=1S/C8H12N2S/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
InChI KeyMUSIVZZZFRJWGI-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
KingdomOrganic compounds
Super ClassOrganosulfur compounds
ClassThioethers
Sub ClassAryl thioethers
Direct ParentAryl thioethers
Alternative Parents
Substituents
  • Aryl thioether
  • Alkylarylthioether
  • Pyrazine
  • Heteroaromatic compound
  • Azacycle
  • Organoheterocyclic compound
  • Sulfenyl compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic 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
logP2.45ALOGPS
logP2.14ChemAxon
logS-1.5ALOGPS
pKa (Strongest Basic)0.65ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area25.78 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity48.61 m³·mol⁻¹ChemAxon
Polarizability18.44 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+134.49232859911
AllCCS[M+H-H2O]+130.20432859911
AllCCS[M+Na]+139.63932859911
AllCCS[M+NH4]+138.48732859911
AllCCS[M-H]-137.06332859911
AllCCS[M+Na-2H]-138.63532859911
AllCCS[M+HCOO]-140.42332859911
DeepCCS[M+H]+137.56830932474
DeepCCS[M-H]-134.89430932474
DeepCCS[M-2H]-171.07530932474
DeepCCS[M+Na]+146.51930932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylthio-3-isopropylpyrazine 10V, Positive-QTOFsplash10-014i-0900000000-ef000ecc91c7f106385c2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylthio-3-isopropylpyrazine 20V, Positive-QTOFsplash10-014i-0900000000-8033d69f1961683f12582016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylthio-3-isopropylpyrazine 40V, Positive-QTOFsplash10-00xu-9600000000-657796dc4d72cafd14ca2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylthio-3-isopropylpyrazine 10V, Negative-QTOFsplash10-014i-2900000000-62536511ac891719fc702016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylthio-3-isopropylpyrazine 20V, Negative-QTOFsplash10-014i-1900000000-6de4b53b17a3febc16762016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylthio-3-isopropylpyrazine 40V, Negative-QTOFsplash10-014i-9100000000-9cdc8117eb921b3ca5ae2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylthio-3-isopropylpyrazine 10V, Positive-QTOFsplash10-014i-0900000000-e08d35d5ecf65929d1ab2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylthio-3-isopropylpyrazine 20V, Positive-QTOFsplash10-01b9-2900000000-2d5adf9aca318f2a1f072021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylthio-3-isopropylpyrazine 40V, Positive-QTOFsplash10-06dl-9200000000-ace07e5da8e3a8efdcd32021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylthio-3-isopropylpyrazine 10V, Negative-QTOFsplash10-014i-0900000000-93326bc49be9f02f8d3e2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylthio-3-isopropylpyrazine 20V, Negative-QTOFsplash10-014i-1900000000-8c6a6258b1af69b568ba2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-Methylthio-3-isopropylpyrazine 40V, Negative-QTOFsplash10-00mk-9800000000-4d6f9a8e7f5a452d3b452021-10-21Wishart 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 IDFDB007338
KNApSAcK IDNot Available
Chemspider ID95667
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound106216
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