KEGG   COMPOUND: C17514
Entry
C17514                      Compound                               
Name
4-o-Galloylbergenin
Formula
C21H20O13
Exact mass
480.0904
Mol weight
480.3757
Structure
Other DBs
PubChem: 96023859
ChEBI: 81148
KNApSAcK: C00029277
LinkDB
KCF data

ATOM        34
            1   C8y C    24.5700  -21.8400
            2   C8y C    24.5700  -23.2400
            3   C7x C    25.7600  -23.9400
            4   O7x O    26.9500  -23.2400
            5   C1y C    26.9500  -21.8400
            6   C1y C    25.7600  -21.1400
            7   C8y C    23.3100  -21.1400
            8   C8y C    22.1200  -21.8400
            9   C8y C    22.1200  -23.2400
            10  C8x C    23.3100  -23.9400
            11  C1y C    28.2100  -21.1400
            12  C1y C    28.2100  -19.8100
            13  C1y C    26.9500  -19.1100
            14  O2x O    25.7600  -19.8100
            15  C1b C    26.9500  -17.7100
            16  O1a O    28.2100  -16.9400
            17  O7a O    29.4000  -21.8400
            18  O1a O    29.4000  -19.1100
            19  O6a O    25.7600  -25.3400
            20  O1a O    23.3100  -19.8100
            21  O2a O    20.9300  -21.1400
            22  O1a O    20.9300  -24.0100
            23  C1a C    19.6700  -21.8400
            24  C7a C    30.6181  -21.1499
            25  C8y C    31.7995  -21.8450
            26  O6a O    30.5598  -19.7406
            27  C8x C    31.7880  -23.2400
            28  C8y C    32.9946  -23.9500
            29  C8y C    34.2128  -23.2600
            30  C8y C    34.2243  -21.8650
            31  C8x C    33.0177  -21.1550
            32  O1a O    35.4575  -21.1668
            33  O1a O    35.4232  -23.9723
            34  O1a O    32.9830  -25.3399
BOND        37
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    2  10 2
            12    5  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    6  14 1
            17   13  15 1
            18   15  16 1
            19   11  17 1
            20   12  18 1
            21    3  19 2
            22    7  20 1
            23    8  21 1
            24    9  22 1
            25   21  23 1
            26   17  24 1
            27   24  25 1
            28   24  26 2
            29   25  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   25  31 1
            35   30  32 1
            36   29  33 1
            37   28  34 1

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