Hmdb loader

Showing metabocard for 1,2-Dimethoxy-4-methylbenzene (HMDB0303183)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 00:01:49 UTC
Update Date2021-09-24 00:01:49 UTC
HMDB IDHMDB0303183
Secondary Accession NumbersNone
Metabolite Identification
Common Name1,2-Dimethoxy-4-methylbenzene
Description1,2-dimethoxy-4-methylbenzene is a member of the class of compounds known as dimethoxybenzenes. Dimethoxybenzenes are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. 1,2-dimethoxy-4-methylbenzene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-dimethoxy-4-methylbenzene can be found in tea, which makes 1,2-dimethoxy-4-methylbenzene a potential biomarker for the consumption of this food product.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0303183 (1,2-Dimethoxy-4-methylbenzene)


  Mrv0541 02241216562D          

 11 11  0  0  0  0            999 V2000
    1.7750   -0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144   -1.2383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3712   -0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3712   -1.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0318   -0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0318   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7750    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3712    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3712   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144    1.2383    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
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0303183 (1,2-Dimethoxy-4-methylbenzene)

HMDB0303183
     RDKit          3D
1,2-Dimethoxy-4-methylbenzene
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.0871   -1.7400    0.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465   -0.4953    0.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0508   -0.4723    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3045   -1.6190    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0746   -1.5587    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981   -0.3524    0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1771   -0.2806    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9287    0.7703   -0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4493    0.7402   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232    1.8728   -0.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5455    3.1033   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8623   -2.4122   -0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1592   -1.6305    0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6544   -2.2151    1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984   -2.5604    0.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629   -2.4619    0.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5884   -1.2373   -0.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4709    0.4926   -0.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6111    0.0090    0.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812    1.7522   -0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0331    3.0228   -1.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2412    3.9607   -0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961    3.3116    0.2196 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
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  9  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END
Download

3D SDF for HMDB0303183 (1,2-Dimethoxy-4-methylbenzene)


  Mrv0541 02241216562D          

 11 11  0  0  0  0            999 V2000
    1.7750   -0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144   -1.2383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3712   -0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3712   -1.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0318   -0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0318   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7750    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3712    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3712   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144    1.2383    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
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0303183

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(OC)C=C(C)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3

> <INCHI_KEY>
GYPMBQZAVBFUIZ-UHFFFAOYSA-N

> <FORMULA>
C9H12O2

> <MOLECULAR_WEIGHT>
152.1904

> <EXACT_MASS>
152.083729628

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
16.83217266610735

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,2-dimethoxy-4-methylbenzene

> <ALOGPS_LOGP>
2.55

> <JCHEM_LOGP>
2.171324674

> <ALOGPS_LOGS>
-2.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.5871150134682965

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
44.02560000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.31e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,2-dimethoxy-4-methylbenzene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0303183 (1,2-Dimethoxy-4-methylbenzene)

HMDB0303183
     RDKit          3D
1,2-Dimethoxy-4-methylbenzene
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.0871   -1.7400    0.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465   -0.4953    0.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0508   -0.4723    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3045   -1.6190    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0746   -1.5587    0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981   -0.3524    0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1771   -0.2806    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9287    0.7703   -0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4493    0.7402   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232    1.8728   -0.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5455    3.1033   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8623   -2.4122   -0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1592   -1.6305    0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6544   -2.2151    1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984   -2.5604    0.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629   -2.4619    0.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5884   -1.2373   -0.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4709    0.4926   -0.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6111    0.0090    0.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812    1.7522   -0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0331    3.0228   -1.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2412    3.9607   -0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961    3.3116    0.2196 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
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  9  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END
Download

PDB for HMDB0303183 (1,2-Dimethoxy-4-methylbenzene)

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       3.313  -1.541   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.080  -2.311   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.693  -1.541   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.693  -2.311   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.926  -1.541   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.926  -0.001   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.313   0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.693   0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.693  -0.001   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.080   0.770   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.080   2.311   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    3    8   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END
Download

3D PDB for HMDB0303183 (1,2-Dimethoxy-4-methylbenzene)

COMPND    HMDB0303183
HETATM    1  C1  UNL     1       3.087  -1.740   0.363  1.00  0.00           C  
HETATM    2  O1  UNL     1       2.446  -0.495   0.115  1.00  0.00           O  
HETATM    3  C2  UNL     1       1.051  -0.472   0.101  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.304  -1.619   0.320  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.075  -1.559   0.299  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.698  -0.352   0.058  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.177  -0.281   0.034  1.00  0.00           C  
HETATM    8  C7  UNL     1      -0.929   0.770  -0.156  1.00  0.00           C  
HETATM    9  C8  UNL     1       0.449   0.740  -0.141  1.00  0.00           C  
HETATM   10  O2  UNL     1       1.223   1.873  -0.357  1.00  0.00           O  
HETATM   11  C9  UNL     1       0.545   3.103  -0.603  1.00  0.00           C  
HETATM   12  H1  UNL     1       2.862  -2.412  -0.502  1.00  0.00           H  
HETATM   13  H2  UNL     1       4.159  -1.630   0.551  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.654  -2.215   1.281  1.00  0.00           H  
HETATM   15  H4  UNL     1       0.798  -2.560   0.508  1.00  0.00           H  
HETATM   16  H5  UNL     1      -1.663  -2.462   0.472  1.00  0.00           H  
HETATM   17  H6  UNL     1      -3.588  -1.237  -0.337  1.00  0.00           H  
HETATM   18  H7  UNL     1      -3.471   0.493  -0.734  1.00  0.00           H  
HETATM   19  H8  UNL     1      -3.611   0.009   0.996  1.00  0.00           H  
HETATM   20  H9  UNL     1      -1.381   1.752  -0.352  1.00  0.00           H  
HETATM   21  H10 UNL     1      -0.033   3.023  -1.545  1.00  0.00           H  
HETATM   22  H11 UNL     1       1.241   3.961  -0.592  1.00  0.00           H  
HETATM   23  H12 UNL     1      -0.196   3.312   0.220  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3
CONECT    3    4    4    9
CONECT    4    5   15
CONECT    5    6    6   16
CONECT    6    7    8
CONECT    7   17   18   19
CONECT    8    9    9   20
CONECT    9   10
CONECT   10   11
CONECT   11   21   22   23
END
Download

SMILES for HMDB0303183 (1,2-Dimethoxy-4-methylbenzene)

COC1=C(OC)C=C(C)C=C1
Download

INCHI for HMDB0303183 (1,2-Dimethoxy-4-methylbenzene)

InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
1,2-Dimethoxy-4-methylbenzeneMeSH
Chemical FormulaC9H12O2
Average Molecular Weight152.1904
Monoisotopic Molecular Weight152.083729628
IUPAC Name1,2-dimethoxy-4-methylbenzene
Traditional Name1,2-dimethoxy-4-methylbenzene
CAS Registry NumberNot Available
SMILES
COC1=C(OC)C=C(C)C=C1
InChI Identifier
InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
InChI KeyGYPMBQZAVBFUIZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassMethoxybenzenes
Direct ParentDimethoxybenzenes
Alternative Parents
Substituents
  • O-dimethoxybenzene
  • Dimethoxybenzene
  • Phenoxy compound
  • Phenol ether
  • Anisole
  • Toluene
  • Alkyl aryl ether
  • Ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateLiquid
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
logP2.55ALOGPS
logP2.17ChemAxon
logS-2.3ALOGPS
pKa (Strongest Basic)-4.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area18.46 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity44.03 m³·mol⁻¹ChemAxon
Polarizability16.83 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]+130.41232859911
AllCCS[M+H-H2O]+125.83532859911
AllCCS[M+Na]+135.91432859911
AllCCS[M+NH4]+134.68232859911
AllCCS[M-H]-130.95332859911
AllCCS[M+Na-2H]-132.38132859911
AllCCS[M+HCOO]-134.01332859911
DeepCCS[M+H]+137.14930932474
DeepCCS[M-H]-133.32230932474
DeepCCS[M-2H]-171.030932474
DeepCCS[M+Na]+146.53830932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2-Dimethoxy-4-methylbenzene 10V, Positive-QTOFsplash10-0udi-0900000000-51782dfa3a5ef60a8fb52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2-Dimethoxy-4-methylbenzene 20V, Positive-QTOFsplash10-0udi-0900000000-7fc19eb33025e25f5f3c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2-Dimethoxy-4-methylbenzene 40V, Positive-QTOFsplash10-1009-9600000000-65be6440fca7c7fe4e682016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2-Dimethoxy-4-methylbenzene 10V, Negative-QTOFsplash10-0udi-0900000000-41fafa42c121c38f86cd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2-Dimethoxy-4-methylbenzene 20V, Negative-QTOFsplash10-0udi-0900000000-1585c8b2b754349691502016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2-Dimethoxy-4-methylbenzene 40V, Negative-QTOFsplash10-0a4j-9400000000-76aaf435bbcc35fcb7ef2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2-Dimethoxy-4-methylbenzene 10V, Positive-QTOFsplash10-0udi-0900000000-00018b54d9314d33e0c62021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2-Dimethoxy-4-methylbenzene 20V, Positive-QTOFsplash10-0udi-3900000000-23a8ba692901728ff5372021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2-Dimethoxy-4-methylbenzene 40V, Positive-QTOFsplash10-014i-9200000000-a97e1e1d4822f023ed3f2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2-Dimethoxy-4-methylbenzene 10V, Negative-QTOFsplash10-0udi-0900000000-3cd265ceef2fb5f5db202021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2-Dimethoxy-4-methylbenzene 20V, Negative-QTOFsplash10-0udi-2900000000-03b498f0d9895d5bd4412021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,2-Dimethoxy-4-methylbenzene 40V, Negative-QTOFsplash10-0a4i-6900000000-a6b72d837589a9e5b6a22021-10-21Wishart 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 IDFDB008860
KNApSAcK IDNot Available
Chemspider ID61434
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound68126
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