10488522
  CDK     1019211303

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.6061    0.5436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1662   -0.9054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1114    1.5467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6901    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -1.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -0.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5279    0.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3412   -0.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4431    1.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  2 10  2  0  0  0  0 
  3 14  1  0  0  0  0 
  4 14  2  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 11  2  0  0  0  0 
  8 14  1  0  0  0  0 
  9 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 12 15  1  0  0  0  0 
 13 15  2  0  0  0  0 
M  END
> <ID>
CHEBI:181565

> <NAME>
1H-Indole-3-acetic acid, 2,3-dihydro-3-hydroxy-2-oxo-

> <STAR>
2

> <IUPAC_NAME>
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid

> <FORMULA>
C10H9NO4

> <MASS>
207.185

> <MONOISOTOPIC_MASS>
207.05316

> <CHARGE>
0

> <SMILES>
OC1(C=2C(NC1=O)=CC=CC2)CC(O)=O

> <INCHI>
InChI=1S/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13)

> <INCHIKEY>
MHLHEINWUCSPTL-UHFFFAOYSA-N

$$$$