KEGG   COMPOUND: C20470
Entry
C20470                      Compound                               
Name
1-O-Vanilloyl-beta-D-glucose
Formula
C14H18O9
Exact mass
330.0951
Mol weight
330.29
Structure
Reaction
Enzyme
Other DBs
PubChem: 163312207
LinkDB
KCF data

ATOM        23
            1   C1y C    12.3781  -20.1831
            2   C1y C    12.3781  -21.5776
            3   O2x O    13.5860  -19.4770
            4   C1b C    11.1703  -19.4770
            5   C1y C    13.5860  -22.2778
            6   O1a O    11.1703  -22.2778
            7   C1y C    14.8055  -20.1772
            8   O1a O    10.1024  -20.3815
            9   C1y C    14.8055  -21.5776
            10  O1a O    13.5917  -23.6783
            11  O1a O    16.0191  -22.2778
            12  C8x C    16.2167  -16.4977
            13  C8x C    16.2167  -15.0949
            14  C8y C    17.4091  -14.3934
            15  C8y C    18.6716  -15.0949
            16  C8x C    18.6716  -16.4977
            17  C8y C    17.4091  -17.1991
            18  O1a O    17.4091  -12.9906
            19  C7a C    17.4091  -18.6019
            20  O7a O    16.2167  -19.3033
            21  O6a O    18.6014  -19.3033
            22  O2a O    19.8640  -14.3934
            23  C1a C    21.0563  -15.0949
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    9  11 1 #Down
            11    7   9 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   12  17 1
            18   14  18 1
            19   17  19 1
            20   19  20 1
            21   19  21 2
            22   15  22 1
            23   22  23 1
            24    7  20 1 #Up

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