Marvin  02210614512D          

 10 10  0  0  0  0            999 V2000
    0.2143   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146   -0.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146   -0.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001   -1.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2143   -0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9288    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6433   -0.0413    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9288    1.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5001    1.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  1  7  1  0  0  0  0
  9  7  2  0  0  0  0
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  3  2  1  0  0  0  0
 10  2  1  0  0  0  0
  5  6  2  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
M  CHG  1   8  -1
M  END
> <ID>
CHEBI:16567

> <NAME>
anthranilate

> <DEFINITION>
An aminobenzoate that is the conjugate base of anthranilic acid, obtained by deprotonation of the carboxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:22575; CHEBI:13841

> <SYNONYM>
anthranilate

> <IUPAC_NAME>
2-aminobenzoate

> <FORMULA>
C7H6NO2

> <MASS>
136.12808

> <MONOISOTOPIC_MASS>
136.04040

> <CHARGE>
-1

> <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)/p-1

> <INCHIKEY>
RWZYAGGXGHYGMB-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3904977

> <GMELIN_REGISTRY_NUMBER>
131077

> <REAXYS_REGISTRY_NUMBER>
3904977

> <KEGG_COMPOUND_ACCESSION>
C00108

> <METACYC_ACCESSION>
ANTHRANILATE

$$$$