KEGG   COMPOUND: C21890
Entry
C21890                      Compound                               
Name
4-[(E)-2-Isocyanoethenyl]phenol
Formula
C9H7NO
Exact mass
145.0528
Mol weight
145.16
Structure
Reaction
R12076
Enzyme
1.14.20.10
LinkDB
KCF data

ATOM        11
            1   C8x C    15.6516  -15.6516
            2   C8y C    15.6516  -16.9792
            3   C8x C    16.8395  -17.6779
            4   C8x C    18.0273  -16.9792
            5   C8y C    18.0273  -15.6516
            6   C8x C    16.8395  -14.9529
            7   O1a O    14.4638  -17.6779
            8   C2b C    20.4030  -15.6516
            9   C2b C    19.2152  -14.9529
            10  N3a N    21.5908  -14.9529 #+
            11  C3a C    21.5908  -13.2029 #-
BOND        11
            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     2   7 1
            8     8   9 2
            9     5   9 1
            10    8  10 1
            11   10  11 3

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