ChEBI
  Marvin  09210611592D          

 13 13  0  0  0  0            999 V2000
   14.1035   -5.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1035   -6.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8179   -7.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5324   -6.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8179   -5.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1034   -4.2594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8179   -4.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5324   -4.2594    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.5324   -5.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2469   -5.4969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6758   -5.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9613   -5.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9613   -6.7344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  9  2  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
M  CHG  1   8  -1
M  END
> <ID>
CHEBI:16803

> <NAME>
N-acetylanthranilate

> <DEFINITION>
An amidobenzoate consisting of anthranilate carrying an N-acetyl group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12465; CHEBI:21602; CHEBI:7194

> <SYNONYM>
N-acetylanthranilate; N-Acetylanthranilate; 2-(acetylamino)benzoate

> <IUPAC_NAME>
2-acetamidobenzoate

> <FORMULA>
C9H8NO3

> <MASS>
178.16476

> <MONOISOTOPIC_MASS>
178.05097

> <CHARGE>
-1

> <SMILES>
CC(=O)Nc1ccccc1C([O-])=O

> <INCHI>
InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)/p-1

> <INCHIKEY>
QSACCXVHEVWNMX-UHFFFAOYSA-M

> <KEGG_COMPOUND_ACCESSION>
C06332

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