KEGG   COMPOUND: C21891
Entry
C21891                      Compound                               
Name
(2E)-3-(4-Hydroxyphenyl)-2-isocyanoprop-2-enoate
Formula
C10H7NO3
Exact mass
189.0426
Mol weight
189.17
Structure
Reaction
R12081 R12884
Pathway
map00997  Biosynthesis of various other secondary metabolites
Enzyme
1.14.20.9
LinkDB
KCF data

ATOM        14
            1   C8x C    15.6519  -15.6519
            2   C8y C    15.6519  -16.9795
            3   C8x C    16.8398  -17.6782
            4   C8x C    18.0276  -16.9795
            5   C8y C    18.0276  -15.6519
            6   C8x C    16.8398  -14.9532
            7   O1a O    14.4641  -17.6782
            8   C2c C    20.4033  -15.6519
            9   C2b C    19.2155  -14.9532
            10  C6a C    20.4033  -17.0519
            11  N3a N    21.6158  -14.9519 #+
            12  O6a O    21.6158  -17.7519
            13  O6a O    19.1909  -17.7519
            14  C3a C    23.3882  -13.9019 #-
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     2   7 1
            8     8   9 2
            9     5   9 1
            10    8  10 1
            11    8  11 1
            12   10  12 1
            13   10  13 2
            14   11  14 3

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