KEGG   COMPOUND: C11611
Entry
C11611                      Compound                               
Name
Phenyl beta-D-glucopyranoside;
Phenylglucoside
Formula
C12H16O6
Exact mass
256.0947
Mol weight
256.25
Structure
Other DBs
CAS: 1464-44-4
PubChem: 13776
ChEBI: 8083
KNApSAcK: C00030988
NIKKAJI: J149.732D
KCF data

ATOM        18
            1   C1y C    28.0376  -18.1217
            2   O2x O    26.8304  -17.4161
            3   C1y C    28.0376  -19.5271
            4   O2a O    29.2506  -17.4218
            5   C1y C    25.6115  -18.1217
            6   C1y C    26.8304  -20.2212
            7   O1a O    29.2506  -20.2212
            8   C8y C    30.4579  -18.1159
            9   C1y C    25.6115  -19.5271
            10  C1b C    24.3925  -17.4161
            11  O1a O    26.8304  -21.6267
            12  C8x C    30.4579  -19.5097
            13  C8x C    31.6711  -17.4161
            14  O1a O    24.3925  -20.2270
            15  O1a O    23.1795  -18.1217
            16  C8x C    31.6711  -20.2037
            17  C8x C    32.8783  -18.1159
            18  C8x C    32.8783  -19.5097
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 2
            12    8  13 1
            13    9  14 1 #Down
            14   10  15 1
            15   12  16 1
            16   13  17 2
            17   16  18 2
            18    6   9 1
            19   17  18 1

» Japanese version

  All links  
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (4)   

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