CDK     0521202330

 14 15  0  0  0  0  0  0  0  0999 V2000
   13.0079  -22.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0065  -22.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7177  -23.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7157  -21.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4320  -22.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4325  -22.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2214  -23.1095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7085  -22.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2205  -21.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5313  -22.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4743  -20.9848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2950  -21.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2942  -20.7946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5828  -22.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  5  4  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  5  1  0  0  0  0 
  4  1  1  0  0  0  0 
  8 10  2  0  0  0  0 
  5  6  1  0  0  0  0 
  9 11  2  0  0  0  0 
  1 12  1  0  0  0  0 
  2  3  1  0  0  0  0 
 12 13  2  0  0  0  0 
  3  6  2  0  0  0  0 
 12 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:149850

> <NAME>
2,3-Dioxoindoline-5-carboxylic acid

> <STAR>
2

> <FORMULA>
C9H5NO4

> <MASS>
191.142

> <MONOISOTOPIC_MASS>
191.02186

> <CHARGE>
0

> <SMILES>
C1(=CC=C2NC(C(C2=C1)=O)=O)C(=O)O

> <INCHI>
InChI=1S/C9H5NO4/c11-7-5-3-4(9(13)14)1-2-6(5)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)

> <INCHIKEY>
SNPPWTIGLNZFRF-UHFFFAOYSA-N

$$$$