Marvin  08290814242D          

 19 20  0  0  0  0            999 V2000
    0.7145    0.4125    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   -0.4125    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    0.4125    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    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0  0  0  0
  2  1  2  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
 19  4  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  2  0  0  0  0
 11 13  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 16  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
> <ID>
CHEBI:16606

> <NAME>
N-benzoyl-4-hydroxyanthranilic acid

> <DEFINITION>
The N-benzoyl-4-hydroxy derivative of anthranilic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12589; CHEBI:21678; CHEBI:7249

> <SYNONYM>
N-Benzoyl-4-hydroxyanthranilate; 2-(benzoylamino)-4-hydroxybenzoic acid

> <IUPAC_NAME>
2-benzamido-4-hydroxybenzoic acid

> <FORMULA>
C14H11NO4

> <MASS>
257.24148

> <MONOISOTOPIC_MASS>
257.06881

> <CHARGE>
0

> <SMILES>
OC(=O)c1ccc(O)cc1NC(=O)c1ccccc1

> <INCHI>
InChI=1S/C14H11NO4/c16-10-6-7-11(14(18)19)12(8-10)15-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,15,17)(H,18,19)

> <INCHIKEY>
OZOUTQJDMGSCPN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3354920

> <CAS_REGISTRY_NUMBER>
85915-70-4

> <CHEMIDPLUS>
85915-70-4

> <KEGG_COMPOUND_ACCESSION>
C04207

$$$$