KEGG   COMPOUND: C10218
Entry
C10218                      Compound                               
Name
Coriariin A
Formula
C82H58O52
Exact mass
1874.1894
Mol weight
1875.3067
Structure
Brite
Phytochemical compounds [BR:br08003]
 Others
  Tannins and galloyl derivatives
   Ellagitannins
    C10218  Coriariin A
Other DBs
CAS: 89871-78-3
PubChem: 12404
ChEBI: 3883
KNApSAcK: C00002914
3DMET: B03645
NIKKAJI: J350.464F
LinkDB
KCF data

ATOM        134
            1   C8y C    36.8844  -22.9587
            2   C8y C    35.7884  -23.6318
            3   C8x C    35.7903  -24.9846
            4   C8y C    36.9640  -25.6666
            5   C8y C    38.1360  -24.9814
            6   C8y C    38.1343  -23.6288
            7   O1a O    39.4445  -23.0177
            8   O1a O    39.3097  -25.6634
            9   O1a O    36.9659  -27.0194
            10  C7x C    34.6149  -22.9565
            11  C8y C    36.8565  -20.0840
            12  C8y C    25.8295  -20.6995
            13  C7a C    27.0377  -20.0091
            14  O7a O    28.5136  -20.7911
            15  O6a O    27.0377  -18.6209
            16  C8x C    24.6284  -20.0091
            17  C8y C    23.4273  -20.6995
            18  C8y C    23.4273  -22.0875
            19  C8y C    24.6284  -22.7850
            20  C8x C    25.8295  -22.0875
            21  O1a O    22.2262  -20.0091
            22  O1a O    22.2262  -22.7850
            23  O1a O    24.6284  -24.1731
            24  C7a C    29.5708  -22.8695
            25  O7a O    30.9128  -22.1720
            26  O6a O    28.3697  -22.1720
            27  C8y C    29.5708  -24.2577
            28  C1y C    29.7110  -18.6985
            29  O7a O    29.6960  -16.1426
            30  C1y C    29.7117  -20.0865
            31  C1y C    30.9133  -20.7834
            32  C1y C    32.1139  -20.0923
            33  C1y C    32.1132  -18.6972
            34  O2x O    30.9118  -18.0074
            35  C8x C    28.3765  -24.9442
            36  C8y C    29.5776  -27.0297
            37  C8y C    30.7787  -26.3322
            38  C8x C    30.7787  -24.9442
            39  C8y C    28.3765  -26.3322
            40  O1a O    31.9798  -27.0297
            41  O1a O    29.5776  -28.4178
            42  O1a O    27.1754  -27.0297
            43  C8y C    30.8742  -12.1952
            44  C8y C    30.8742  -13.5833
            45  C8x C    32.0784  -14.2808
            46  C8y C    33.2753  -13.5833
            47  C8y C    33.2753  -12.1952
            48  C8y C    32.0784  -11.5047
            49  O2a O    29.6243  -11.4829
            50  O1a O    32.0801  -10.1168
            51  O1a O    34.4769  -11.5056
            52  O1a O    34.4769  -14.2798
            53  C1y C    21.4167  -13.4052
            54  C1y C    22.5527  -12.7429
            55  C1y C    20.2924  -12.7429
            56  O7a O    21.4109  -14.6273
            57  C1y C    22.5527  -11.4493
            58  O7a O    23.6830  -13.4489
            59  C1y C    20.2924  -11.4493
            60  O7x O    18.2057  -13.8082
            61  C7a C    20.4638  -15.3319
            62  O2x O    21.4167  -10.7984
            63  C7a C    23.6830  -14.7624
            64  C1x C    19.1793  -10.7984
            65  C7x C    18.2057  -15.2535
            66  C8y C    20.4276  -16.5669
            67  O6a O    19.3816  -14.7022
            68  C8y C    24.8004  -15.4121
            69  O6a O    22.5585  -15.4121
            70  O7x O    18.1857  -11.6359
            71  C8y C    17.0813  -15.9030
            72  O6a O    19.2881  -15.9265
            73  C8x C    19.3101  -17.2470
            74  C8x C    21.5765  -17.2003
            75  C8x C    24.8004  -16.7301
            76  C8x C    25.9247  -14.7624
            77  C7x C    17.0615  -10.9793
            78  C8x C    17.0813  -17.2281
            79  C8y C    15.9580  -15.2535
            80  C8y C    19.3217  -18.5523
            81  C8y C    21.5357  -18.5113
            82  C8y C    25.9247  -17.3841
            83  C8y C    27.0737  -15.4121
            84  C8y C    15.9369  -11.6359
            85  O6a O    17.0615   -9.6798
            86  C8y C    15.9580  -17.8825
            87  C8y C    14.8091  -15.9030
            88  C8y C    20.4755  -19.1844
            89  O1a O    18.2033  -19.2194
            90  O1a O    22.7347  -19.1308
            91  C8y C    27.0737  -16.7301
            92  O1a O    25.9247  -18.6919
            93  O1a O    28.0581  -14.8267
            94  C8y C    15.9369  -12.9482
            95  C8x C    14.8125  -10.9793
            96  C8y C    14.8091  -17.2281
            97  O1a O    15.9638  -19.1888
            98  O1a O    13.6148  -15.8835
            99  O1a O    20.5151  -20.6878
            100 O1a O    28.2038  -17.3667
            101 C8y C    14.8125  -13.6154
            102 C8y C    13.6708  -11.6359
            103 O1a O    13.6848  -17.8649
            104 C8y C    13.6708  -12.9482
            105 O1a O    14.8125  -14.9087
            106 O1a O    12.5463  -10.9736
            107 O1a O    12.5405  -13.5978
            108 O7a O    23.7301  -10.7049
            109 C7a C    24.8986  -11.4405
            110 C8y C    26.0620  -10.7526
            111 O6a O    24.9039  -12.7931
            112 C8x C    27.2320  -11.4373
            113 C8y C    28.4094  -10.7495
            114 C8y C    28.4042   -9.3966
            115 C8y C    27.2288   -8.7246
            116 C8x C    26.0585   -9.4054
            117 O1a O    27.2237   -7.3719
            118 O1a O    29.5747   -8.7158
            119 C7a C    29.6735  -14.2813
            120 O6a O    28.4720  -13.5845
            121 C1x C    33.3140  -18.0061
            122 O7x O    34.5154  -18.6960
            123 C7x C    35.7162  -18.0049
            124 C8y C    36.9248  -18.6947
            125 O6a O    35.7155  -16.6168
            126 C8y C    38.1213  -20.7761
            127 C8y C    39.3221  -20.0850
            128 C8y C    39.3212  -18.6969
            129 C8x C    38.1198  -18.0000
            130 O1a O    40.5220  -17.9988
            131 O1a O    40.5235  -20.7747
            132 O1a O    38.1220  -22.1641
            133 O6a O    33.4165  -23.6587
            134 O7x O    34.6049  -21.1698
BOND        147
            1    18  19 2
            2    36  39 1
            3    19  20 1
            4    37  40 1
            5    20  12 2
            6    36  41 1
            7     4   5 1
            8    39  42 1
            9    17  21 1
            10   18  22 1
            11    1  11 1
            12   19  23 1
            13    5   6 2
            14   43  44 1
            15   44  45 2
            16   45  46 1
            17   46  47 2
            18   47  48 1
            19   48  43 2
            20    6   1 1
            21   43  49 1
            22   24  25 1
            23   48  50 1
            24   12  13 1
            25   47  51 1
            26   24  26 2
            27   46  52 1
            28   81  90 1
            29   82  91 1
            30   82  92 1
            31   83  93 1
            32   84  94 1
            33   84  95 2
            34   86  96 1
            35   86  97 1
            36   87  98 1
            37   88  99 1
            38   91 100 1
            39   94 101 2
            40   95 102 1
            41   96 103 1
            42  101 104 1
            43  101 105 1
            44  102 106 1
            45  104 107 1
            46   59  62 1
            47   81  88 2
            48   83  91 2
            49   87  96 2
            50  102 104 2
            51   94  79 1
            52   53  54 1
            53   53  55 1
            54   53  56 1 #Up
            55   54  57 1
            56   54  58 1 #Down
            57   55  59 1
            58   55  60 1 #Down
            59   56  61 1
            60   57  62 1
            61   58  63 1
            62   59  64 1 #Up
            63   60  65 1
            64   61  66 1
            65   61  67 2
            66   63  68 1
            67   63  69 2
            68   64  70 1
            69   65  71 1
            70   65  72 2
            71   66  73 1
            72   66  74 2
            73   68  75 1
            74   68  76 2
            75   70  77 1
            76   71  78 1
            77   71  79 2
            78   73  80 2
            79   74  81 1
            80   75  82 2
            81   76  83 1
            82   77  84 1
            83   77  85 2
            84   78  86 2
            85   79  87 1
            86   80  88 1
            87   80  89 1
            88    6   7 1
            89   57 108 1 #Up
            90   24  27 1
            91   13  14 1
            92    5   8 1
            93   28  29 1 #Down
            94   13  15 2
            95   30  14 1 #Up
            96    4   9 1
            97    2  10 1
            98    1   2 2
            99    2   3 1
            100 108 109 1
            101 109 110 1
            102 109 111 2
            103 110 112 2
            104 112 113 1
            105 113 114 2
            106 114 115 1
            107 115 116 2
            108 116 110 1
            109 115 117 1
            110 114 118 1
            111 113  49 1
            112  30  31 1
            113  44 119 1
            114 119  29 1
            115  31  32 1
            116 119 120 2
            117  32  33 1
            118  33 121 1 #Down
            119  33  34 1
            120 121 122 1
            121  34  28 1
            122 122 123 1
            123  28  30 1
            124 123 124 1
            125  31  25 1 #Down
            126 123 125 2
            127   3   4 2
            128  12  16 1
            129  16  17 2
            130  17  18 1
            131 124  11 1
            132  11 126 2
            133 126 127 1
            134 127 128 2
            135 128 129 1
            136 129 124 2
            137  27  35 1
            138 128 130 1
            139  35  39 2
            140 127 131 1
            141  36  37 2
            142 126 132 1
            143  37  38 1
            144  10 133 2
            145  10 134 1
            146  38  27 2
            147  32 134 1 #Up

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