KEGG   COMPOUND: C21894
Entry
C21894                      Compound                               
Name
3-[(E)-2-Isocyanoethenyl]-1H-indole
Formula
C11H8N2
Exact mass
168.0687
Mol weight
168.19
Structure
Reaction
R12083
Enzyme
1.14.20.12
LinkDB
KCF data

ATOM        13
            1   C8x C    15.4040  -17.6442
            2   C8x C    15.4040  -18.9746
            3   C8x C    16.5943  -19.6747
            4   C8y C    17.7847  -18.9746
            5   C8y C    17.7847  -17.6442
            6   C8x C    16.5943  -16.9440
            7   N4x N    19.1151  -19.3947
            8   C8x C    19.8852  -18.3444
            9   C8y C    19.1151  -17.2241
            10  C2b C    21.0055  -15.9638
            11  C2b C    19.6752  -15.9638
            12  N3a N    21.7883  -14.4698 #+
            13  C3a C    22.2913  -12.6952 #-
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   10  11 2
            12    9  11 1
            13   10  12 1
            14   12  13 3

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