KEGG   COMPOUND: C22594
Entry
C22594                      Compound                               
Name
Epicatechin gallate;
(-)-Epicatechin-3-O-gallate
Formula
C22H18O10
Exact mass
442.0900
Mol weight
442.37
Structure
Brite
Dietary phytochemicals [br08012.html]
 Flavonoids
  C22594
Other DBs
CAS: 1257-08-5
PubChem: 497619953
LinkDB
KCF data

ATOM        32
            1   C1y C    17.8320  -14.2932
            2   C1y C    17.8320  -15.6927
            3   O2x O    16.6191  -13.5818
            4   C1x C    16.6075  -16.3867
            5   O7a O    19.0334  -16.3925
            6   C8y C    15.4003  -14.2816
            7   C8y C    15.4003  -15.6810
            8   C7a C    19.0334  -17.7979
            9   C8x C    14.1875  -13.5759
            10  C8y C    14.1875  -16.3807
            11  C8y C    20.2405  -18.5093
            12  O6a O    17.8146  -18.4977
            13  C8y C    12.9803  -14.2816
            14  C8x C    12.9803  -15.6810
            15  O1a O    14.1875  -17.7803
            16  C8x C    20.2405  -19.9030
            17  C8x C    21.4593  -17.7979
            18  O1a O    11.7615  -13.5759
            19  C8y C    21.4476  -20.6028
            20  C8y C    22.6663  -18.5093
            21  C8y C    22.6663  -19.9147
            22  O1a O    21.4476  -22.0081
            23  O1a O    23.8852  -17.8095
            24  O1a O    23.8735  -20.6145
            25  C8y C    19.0508  -13.5934
            26  C8x C    20.2579  -14.3049
            27  C8x C    19.0508  -12.1939
            28  C8y C    21.4767  -13.6051
            29  C8x C    20.2696  -11.4999
            30  C8y C    21.4767  -12.1997
            31  O1a O    22.6781  -14.3165
            32  O1a O    22.6898  -11.5115
BOND        35
            1     7  10 1
            2     8  11 1
            3     8  12 2
            4     9  13 2
            5    10  14 2
            6    10  15 1
            7    11  16 2
            8    11  17 1
            9    13  18 1
            10   16  19 1
            11   17  20 2
            12   19  21 2
            13   19  22 1
            14   20  23 1
            15   21  24 1
            16    6   7 2
            17   13  14 1
            18   20  21 1
            19    1  25 1 #Down
            20    1   2 1
            21    1   3 1
            22    2   4 1
            23    2   5 1 #Down
            24    3   6 1
            25    4   7 1
            26    5   8 1
            27    6   9 1
            28   25  26 2
            29   25  27 1
            30   26  28 1
            31   27  29 2
            32   28  30 2
            33   28  31 1
            34   30  32 1
            35   29  30 1

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