KEGG   COMPOUND: C02615
Entry
C02615                      Compound                               

Name
(S)-Mandelonitrile;
(S)-Benzaldehyde cyanohydrin
Formula
C8H7NO
Exact mass
133.0528
Mol weight
133.1473
Structure
Other DBs
PubChem: 5600
ChEBI: 36941
PDB-CCD: MNN[PDBj]
NIKKAJI: J74.251A
KCF data

ATOM        10
            1   C8y C    17.9095  -14.7826
            2   C1c C    17.9033  -13.4155
            3   C8x C    16.7189  -15.4693
            4   C8x C    19.1065  -15.4693
            5   C3b C    19.0875  -12.7226
            6   O1a O    16.5614  -12.5463
            7   C8x C    16.7189  -16.8552
            8   C8x C    19.1065  -16.8552
            9   N3a N    20.2718  -12.0359
            10  C8x C    17.9095  -17.5544
BOND        10
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 2
            8     5   9 3
            9     7  10 2
            10    8  10 1

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