KEGG   COMPOUND: C04273
Entry
C04273                      Compound                               

Name
(S)-Mandelonitrile beta-D-glucoside
Formula
C14H17NO6
Exact mass
295.1056
Mol weight
295.2879
Structure
Other DBs
PubChem: 6936
ChEBI: 27761
KNApSAcK: C00034206
NIKKAJI: J617.645C
KCF data

ATOM        21
            1   C1y C    16.7867  -16.2048
            2   O2a O    18.6874  -15.3831
            3   O2x O    15.6217  -15.5424
            4   C1y C    16.7867  -17.5537
            5   C1c C    20.4412  -16.2905
            6   C1y C    14.4628  -16.2048
            7   C1y C    15.6217  -18.2404
            8   O1a O    17.9455  -18.2219
            9   C8y C    20.4412  -17.6211
            10  C3b C    21.5938  -15.6160
            11  C1y C    14.4628  -17.5537
            12  C1b C    13.3100  -15.5424
            13  O1a O    15.6156  -19.5710
            14  C8x C    19.2884  -18.2895
            15  C8x C    21.6123  -18.2895
            16  N3a N    22.7466  -14.9478
            17  O1a O    13.3040  -18.2159
            18  O1a O    13.3100  -14.2058
            19  C8x C    19.2884  -19.6384
            20  C8x C    21.6123  -19.6384
            21  C8x C    20.4412  -20.3191
BOND        22
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     5   2 1 #Down
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Up
            12    7  13 1 #Up
            13    9  14 2
            14    9  15 1
            15   10  16 3
            16   11  17 1 #Down
            17   12  18 1
            18   14  19 1
            19   15  20 2
            20   19  21 2
            21    7  11 1
            22   20  21 1

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