Ketcher 09121814432D 1   1.00000     0.00000     0

 14 15  0     0  0            999 V2000
    9.0037   -9.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8697   -8.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8697   -7.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0037   -7.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1377   -7.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1377   -8.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8208   -9.2839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4085   -8.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8208   -7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0037   -6.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1298   -6.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1079   -6.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0861   -6.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4606   -5.9717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9  3  1  0     0  0
  4 10  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  3  0     0  0
 11 14  2  0     0  0
M  END
> <ID>
CHEBI:142138

> <NAME>
4-hydroxy-indole-3-carbonyl nitrile

> <DEFINITION>
A member of the class of hydroxyindoles that is 1H-indol-4-ol which is substituted by a nitriloacetyl group at the 3 position.

> <STAR>
3

> <SYNONYM>
4-OH-ICN; 4-hydroxy-indole-3-carbonyl nitrile; 4-hydroxy-alpha-oxo-1H-indole-3-acetonitrile; 2-(4-hydroxy-1H-indol-3-yl)-2-oxoacetonitrile; 2-(4-hydroxy-1H-indol-3-yl)-2-keto-acetonitrile

> <IUPAC_NAME>
4-hydroxy-1H-indole-3-carbonyl cyanide

> <FORMULA>
C10H6N2O2

> <MASS>
186.167

> <MONOISOTOPIC_MASS>
186.04293

> <CHARGE>
0

> <SMILES>
C=1C2=C(C(=CC1)O)C(=CN2)C(C#N)=O

> <INCHI>
InChI=1S/C10H6N2O2/c11-4-9(14)6-5-12-7-2-1-3-8(13)10(6)7/h1-3,5,12-13H

> <INCHIKEY>
KVUDODPZCDAFRS-UHFFFAOYSA-N

> <PUBMED_CITATION>
26352477

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