131838625
  CDK     1019221600

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.3645   -2.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5650    1.2840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2432    2.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5378    1.1803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -1.4421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9232    0.8400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -0.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3412   -0.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1159    0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1795    1.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9868    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0 
  2 13  2  0  0  0  0 
  3 17  1  0  0  0  0 
  4 17  2  0  0  0  0 
  5  8  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6 13  1  0  0  0  0 
  6 16  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 13  1  0  0  0  0 
 11 15  2  0  0  0  0 
 12 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 16 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:193831

> <NAME>
2-{[hydroxy(7-hydroxy-1H-indol-3-yl)methylidene]amino}acetic acid

> <STAR>
2

> <IUPAC_NAME>
2-[(7-hydroxy-1H-indole-3-carbonyl)amino]acetic acid

> <FORMULA>
C11H10N2O4

> <MASS>
234.211

> <MONOISOTOPIC_MASS>
234.06406

> <CHARGE>
0

> <SMILES>
OC=1C=2NC=C(C2C=CC1)C(=O)NCC(O)=O

> <INCHI>
InChI=1S/C11H10N2O4/c14-8-3-1-2-6-7(4-12-10(6)8)11(17)13-5-9(15)16/h1-4,12,14H,5H2,(H,13,17)(H,15,16)

> <INCHIKEY>
FJCNFDVCHKLFIH-UHFFFAOYSA-N

$$$$