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Showing metabocard for N,N-Dimethylanthranilic acid (HMDB0302634)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 19:17:46 UTC
Update Date2021-09-23 19:17:46 UTC
HMDB IDHMDB0302634
Secondary Accession NumbersNone
Metabolite Identification
Common NameN,N-Dimethylanthranilic acid
DescriptionN,n-dimethylanthranilic acid is a member of the class of compounds known as aminobenzoic acids. Aminobenzoic acids are benzoic acids containing an amine group attached to the benzene moiety. N,n-dimethylanthranilic acid is soluble (in water) and a weakly acidic compound (based on its pKa). N,n-dimethylanthranilic acid can be found in fig, which makes n,n-dimethylanthranilic acid a potential biomarker for the consumption of this food product.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302634 (N,N-Dimethylanthranilic acid)


  Mrv0541 10151203112D          

 12 12  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 O   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    2.4750    0.0000 O   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 N   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
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3D MOL for HMDB0302634 (N,N-Dimethylanthranilic acid)

HMDB0302634
     RDKit          3D
N,N-Dimethylanthranilic acid
 23 23  0  0  0  0  0  0  0  0999 V2000
    1.8385    1.2579   -0.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696    0.2240   -0.0061 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3091   -0.1183    1.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1261   -0.4134   -0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532   -1.7492   -0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1132   -2.4252   -0.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3079   -1.7579   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2622   -0.4687   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0577    0.2302    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1003    1.6041    0.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667    2.2453    0.8097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493    2.2019    0.8087 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3695    2.0632   -0.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0321    1.6352   -1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582    0.8175   -1.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639   -0.8037    0.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8374    0.7960    1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8045   -0.5530    1.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9998   -2.2272   -0.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1709   -3.4538   -1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2585   -2.2753   -0.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1738    0.0690    0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6014    3.1013    0.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9  4  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  3 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  7 21  1  0
  8 22  1  0
 12 23  1  0
M  END
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3D SDF for HMDB0302634 (N,N-Dimethylanthranilic acid)


  Mrv0541 10151203112D          

 12 12  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 O   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    2.4750    0.0000 O   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 N   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0302634

> <DATABASE_NAME>
hmdb

> <SMILES>
CN(C)C1=CC=CC=C1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H11NO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H,11,12)

> <INCHI_KEY>
DVVXXHVHGGWWPE-UHFFFAOYSA-N

> <FORMULA>
C9H11NO2

> <MOLECULAR_WEIGHT>
165.1891

> <EXACT_MASS>
165.078978601

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
17.143755948896963

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(dimethylamino)benzoic acid

> <ALOGPS_LOGP>
1.33

> <JCHEM_LOGP>
1.7388725826666669

> <ALOGPS_LOGS>
-1.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.653348385716311

> <JCHEM_PKA_STRONGEST_BASIC>
1.5013756138025411

> <JCHEM_POLAR_SURFACE_AREA>
40.54

> <JCHEM_REFRACTIVITY>
47.7428

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.06e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(dimethylamino)benzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0302634 (N,N-Dimethylanthranilic acid)

HMDB0302634
     RDKit          3D
N,N-Dimethylanthranilic acid
 23 23  0  0  0  0  0  0  0  0999 V2000
    1.8385    1.2579   -0.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696    0.2240   -0.0061 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3091   -0.1183    1.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1261   -0.4134   -0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532   -1.7492   -0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1132   -2.4252   -0.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3079   -1.7579   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2622   -0.4687   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0577    0.2302    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1003    1.6041    0.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667    2.2453    0.8097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493    2.2019    0.8087 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3695    2.0632   -0.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0321    1.6352   -1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582    0.8175   -1.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639   -0.8037    0.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8374    0.7960    1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8045   -0.5530    1.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9998   -2.2272   -0.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1709   -3.4538   -1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2585   -2.2753   -0.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1738    0.0690    0.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6014    3.1013    0.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9  4  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  3 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  7 21  1  0
  8 22  1  0
 12 23  1  0
M  END
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PDB for HMDB0302634 (N,N-Dimethylanthranilic acid)

HEADER    PROTEIN                                 15-OCT-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-OCT-12         0                                  
HETATM    1  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   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       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -1.334   2.310   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    4   10                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
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3D PDB for HMDB0302634 (N,N-Dimethylanthranilic acid)

COMPND    HMDB0302634
HETATM    1  C1  UNL     1       1.838   1.258  -0.911  1.00  0.00           C  
HETATM    2  N1  UNL     1       1.370   0.224  -0.006  1.00  0.00           N  
HETATM    3  C2  UNL     1       2.309  -0.118   1.074  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.126  -0.413  -0.129  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.053  -1.749  -0.550  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.113  -2.425  -0.721  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.308  -1.758  -0.464  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.262  -0.469  -0.055  1.00  0.00           C  
HETATM    9  C8  UNL     1      -1.058   0.230   0.122  1.00  0.00           C  
HETATM   10  C9  UNL     1      -1.100   1.604   0.595  1.00  0.00           C  
HETATM   11  O1  UNL     1      -0.067   2.245   0.810  1.00  0.00           O  
HETATM   12  O2  UNL     1      -2.349   2.202   0.809  1.00  0.00           O  
HETATM   13  H1  UNL     1       2.370   2.063  -0.366  1.00  0.00           H  
HETATM   14  H2  UNL     1       1.032   1.635  -1.592  1.00  0.00           H  
HETATM   15  H3  UNL     1       2.658   0.817  -1.568  1.00  0.00           H  
HETATM   16  H4  UNL     1       3.064  -0.804   0.630  1.00  0.00           H  
HETATM   17  H5  UNL     1       2.837   0.796   1.419  1.00  0.00           H  
HETATM   18  H6  UNL     1       1.805  -0.553   1.938  1.00  0.00           H  
HETATM   19  H7  UNL     1       1.000  -2.227  -0.737  1.00  0.00           H  
HETATM   20  H8  UNL     1      -1.171  -3.454  -1.045  1.00  0.00           H  
HETATM   21  H9  UNL     1      -3.258  -2.275  -0.593  1.00  0.00           H  
HETATM   22  H10 UNL     1      -3.174   0.069   0.150  1.00  0.00           H  
HETATM   23  H11 UNL     1      -2.601   3.101   0.452  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3    4
CONECT    3   16   17   18
CONECT    4    5    5    9
CONECT    5    6   19
CONECT    6    7    7   20
CONECT    7    8   21
CONECT    8    9    9   22
CONECT    9   10
CONECT   10   11   11   12
CONECT   12   23
END
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SMILES for HMDB0302634 (N,N-Dimethylanthranilic acid)

CN(C)C1=CC=CC=C1C(O)=O
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INCHI for HMDB0302634 (N,N-Dimethylanthranilic acid)

InChI=1S/C9H11NO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H,11,12)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-(Dimethylamino)benzoateGenerator
N,N-DimethylanthranilateGenerator
Chemical FormulaC9H11NO2
Average Molecular Weight165.1891
Monoisotopic Molecular Weight165.078978601
IUPAC Name2-(dimethylamino)benzoic acid
Traditional Name2-(dimethylamino)benzoic acid
CAS Registry NumberNot Available
SMILES
CN(C)C1=CC=CC=C1C(O)=O
InChI Identifier
InChI=1S/C9H11NO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChI KeyDVVXXHVHGGWWPE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentAminobenzoic acids
Alternative Parents
Substituents
  • Aminobenzoic acid
  • Benzoic acid
  • Benzoyl
  • Tertiary aliphatic/aromatic amine
  • Dialkylarylamine
  • Aniline or substituted anilines
  • Vinylogous amide
  • Tertiary amine
  • Amino acid or derivatives
  • Amino acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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
logP1.33ALOGPS
logP1.74ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)4.65ChemAxon
pKa (Strongest Basic)1.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area40.54 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity47.74 m³·mol⁻¹ChemAxon
Polarizability17.14 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+134.61932859911
AllCCS[M+H-H2O]+130.2132859911
AllCCS[M+Na]+139.91332859911
AllCCS[M+NH4]+138.72832859911
AllCCS[M-H]-133.03832859911
AllCCS[M+Na-2H]-134.18632859911
AllCCS[M+HCOO]-135.51332859911
DeepCCS[M+H]+135.42330932474
DeepCCS[M-H]-131.59630932474
DeepCCS[M-2H]-168.88730932474
DeepCCS[M+Na]+144.42530932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N-Dimethylanthranilic acid 10V, Positive-QTOFsplash10-014i-0900000000-40713a9a2128e71b32cd2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N-Dimethylanthranilic acid 20V, Positive-QTOFsplash10-014i-0900000000-d6bedac78a2e3708c2fa2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N-Dimethylanthranilic acid 40V, Positive-QTOFsplash10-0udi-9400000000-6d33e2136f6efe5207c92016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N-Dimethylanthranilic acid 10V, Negative-QTOFsplash10-0229-0900000000-e6bf969e29e45b4b17c72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N-Dimethylanthranilic acid 20V, Negative-QTOFsplash10-00di-0900000000-8629d0514546f59a49a62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N-Dimethylanthranilic acid 40V, Negative-QTOFsplash10-0uk9-1900000000-e2ed51837a7119d061e82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N-Dimethylanthranilic acid 10V, Positive-QTOFsplash10-0002-0900000000-7aee72b17c60019fa99d2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N-Dimethylanthranilic acid 20V, Positive-QTOFsplash10-0002-0900000000-012df5885dd702eec0e42021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N-Dimethylanthranilic acid 40V, Positive-QTOFsplash10-00di-7900000000-c62c5cd6ab8d943495052021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N-Dimethylanthranilic acid 10V, Negative-QTOFsplash10-00di-0900000000-ac72a11039259f53eb172021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N-Dimethylanthranilic acid 20V, Negative-QTOFsplash10-0fk9-0900000000-b514fb7ca86e1f7765162021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N,N-Dimethylanthranilic acid 40V, Negative-QTOFsplash10-0ufr-6900000000-e43e2f8fef1fb5317b5d2021-10-21Wishart 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 IDFDB005490
KNApSAcK IDNot Available
Chemspider ID62335
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
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