KEGG   COMPOUND: C22015
Entry
C22015                      Compound                               
Name
Indole-3-carbonyl nitrile;
2-(1H-Indole-3-yl)-2-oxoacetonitrile
Formula
C10H6N2O
Exact mass
170.0480
Mol weight
170.17
Structure
Reaction
R12232
Enzyme
1.14.14.165
Other DBs
PubChem: 384585075
LinkDB
KCF data

ATOM        13
            1   C8x C     9.1700  -23.3100
            2   C8x C     9.1700  -24.7100
            3   C8x C    10.3824  -25.4100
            4   C8y C    11.5949  -24.7100
            5   C8y C    11.5949  -23.3100
            6   C8x C    10.3824  -22.6100
            7   N4x N    12.9264  -25.1426
            8   C8x C    13.7493  -24.0100
            9   C8y C    12.9264  -22.8774
            10  C5a C    13.2887  -21.5251
            11  O5a O    12.2988  -20.5351
            12  C3b C    14.6410  -21.1627
            13  N3a N    16.0633  -20.7304
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    9  10 1
            12   10  11 2
            13   10  12 1
            14   12  13 3

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