KEGG   COMPOUND: C00650
Entry
C00650                      Compound                               
Name
4-Hydroxymandelonitrile
Formula
C8H7NO2
Exact mass
149.0477
Mol weight
149.1467
Structure
Reaction
R02709
Enzyme
2.4.1.178
Other DBs
PubChem: 3921
ChEBI: 18115
KNApSAcK: C00034140
3DMET: B04711
NIKKAJI: J30.668A
LinkDB
KCF data

ATOM        11
            1   C8x C    20.5800  -21.4200
            2   C8x C    20.5800  -22.8200
            3   C8y C    21.7924  -23.5200
            4   C8x C    23.0049  -22.8200
            5   C8x C    23.0049  -21.4200
            6   C8y C    21.7924  -20.7200
            7   C1c C    21.7924  -19.3202
            8   O1a O    20.5632  -18.6104
            9   C3b C    22.9880  -18.6298
            10  N3a N    24.2004  -17.9298
            11  O1a O    21.7924  -24.9198
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     6   7 1
            8     7   8 1
            9     7   9 1
            10    9  10 3
            11    3  11 1

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