Marvin  07261209412D          

 10 10  0  0  0  0            999 V2000
   -1.7149   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0004   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2859    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2859   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7149    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0004    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286    1.6501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1432    0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4288   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  7  1  0  0  0  0
  2  4  1  0  0  0  0
  4  3  2  0  0  0  0
 10  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  6  2  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
> <ID>
CHEBI:30754

> <NAME>
anthranilic acid

> <DEFINITION>
An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40980; CHEBI:2757; CHEBI:22577; CHEBI:22578

> <SYNONYM>
Vitamin L1; o-carboxyaniline; o-aminobenzoic acid; o-Aminobenzoic acid; o-Aminobenzoesaeure; Anthranilic acid; 2-carboxyaniline; 2-AMINOBENZOIC ACID; 2-Aminobenzoesaeure

> <IUPAC_NAME>
2-aminobenzoic acid

> <FORMULA>
C7H7NO2

> <MASS>
137.13600

> <MONOISOTOPIC_MASS>
137.04768

> <CHARGE>
0

> <SMILES>
Nc1ccccc1C(O)=O

> <INCHI>
InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)

> <INCHIKEY>
RWZYAGGXGHYGMB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
471803

> <CAS_REGISTRY_NUMBER>
118-92-3

> <GMELIN_REGISTRY_NUMBER>
3397

> <REAXYS_REGISTRY_NUMBER>
471803

> <CHEMIDPLUS>
118-92-3

> <DRUGBANK_ACCESSION>
DB04166

> <KEGG_COMPOUND_ACCESSION>
C00108

> <KNAPSACK_ACCESSION>
C00007382

> <METACYC_ACCESSION>
ANTHRANILATE

> <NIST_CHEMISTRY_WEBBOOK>
118-92-3

> <PDBECHEM_ACCESSION>
BE2

> <WIKIPEDIA_ACCESSION>
Anthranilic_acid

> <PUBMED_CITATION>
11680877; 19745702; 20511543; 22321994; 22341575; 22784643; 28166217; 9784247

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