ISISHOST03240423282D 1   1.00000     0.00000 11797

 18 18  0     0  0            999 V2000
    9.5398   -6.6719    0.0000 C   0  0  0  0  0  0           0  0  0
   10.3043   -6.2260    0.0000 O   0  0  0  0  0  0           0  0  0
    7.3847   -5.4517    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6743   -5.8711    0.0000 C   0  0  0  0  0  0           0  0  0
    6.6831   -6.6975    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4002   -7.1010    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1107   -6.6817    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1040   -5.8588    0.0000 C   0  0  0  0  0  0           0  0  0
    7.3772   -4.6268    0.0000 C   0  0  0  0  0  0           0  0  0
    8.0879   -4.2078    0.0000 O   0  0  0  0  0  0           0  0  0
    6.6590   -4.2208    0.0000 O   0  0  0  0  0  0           0  0  0
    8.8150   -5.4404    0.0000 N   0  0  0  0  0  0           0  0  0
    8.8288   -7.0878    0.0000 O   0  0  0  0  0  0           0  0  0
    5.9731   -7.1178    0.0000 O   0  0  0  0  0  0           0  0  0
    5.2542   -6.7131    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5329   -5.8469    0.0000 C   0  0  0  0  0  0           0  0  0
   10.2439   -5.4284    0.0000 O   0  0  0  0  0  0           0  0  0
   10.2577   -7.0784    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  9 10  1  0     0  0
  3  4  2  0     0  0
  9 11  2  0     0  0
  4  5  1  0     0  0
  8 12  1  0     0  0
  5  6  2  0     0  0
  7 13  1  0     0  0
  6  7  1  0     0  0
  5 14  1  0     0  0
  7  8  2  0     0  0
 14 15  1  0     0  0
  8  3  1  0     0  0
 12 16  1  0     0  0
 16  1  1  0     0  0
 16 17  2  0     0  0
  3  9  1  0     0  0
  1 18  1  0     0  0
M  END
> <ID>
CHEBI:7336

> <NAME>
N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate

> <STAR>
2

> <SYNONYM>
N-Pyruvoyl-5-methoxy-3-hydroxyanthranilic acid; N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate

> <FORMULA>
C11H11NO6

> <MASS>
253.209

> <MONOISOTOPIC_MASS>
253.05864

> <CHARGE>
0

> <SMILES>
COc1cc(O)c(NC(=O)C(C)=O)c(c1)C(O)=O

> <INCHI>
InChI=1S/C11H11NO6/c1-5(13)10(15)12-9-7(11(16)17)3-6(18-2)4-8(9)14/h3-4,14H,1-2H3,(H,12,15)(H,16,17)

> <INCHIKEY>
WSFRCMOAOXFXOJ-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C11467

$$$$