KEGG   COMPOUND: C03757
Entry
C03757                      Compound                               
Name
3,4-Dihydroxymandelonitrile
Formula
C8H7NO3
Exact mass
165.0426
Mol weight
165.1461
Structure
Other DBs
PubChem: 6516
NIKKAJI: J2.748.198A
LinkDB
KCF data

ATOM        12
            1   C8y C    17.7961  -14.0401
            2   C8x C    19.0209  -14.7390
            3   C8x C    16.5904  -14.7390
            4   C1c C    17.7896  -12.6485
            5   C8y C    19.0209  -16.1498
            6   C8x C    16.5904  -16.1498
            7   C3b C    18.9952  -11.9431
            8   O1a O    16.5839  -11.9494
            9   C8y C    17.7961  -16.8616
            10  O1a O    20.2265  -16.8425
            11  N3a N    20.2009  -11.2440
            12  O1a O    17.7896  -18.2533
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 3
            11    9  12 1
            12    6   9 2

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