KEGG   COMPOUND: C10229
Entry
C10229                      Compound                               
Name
Gemin A
Formula
C82H56O52
Exact mass
1872.1738
Mol weight
1873.2908
Structure
Brite
Phytochemical compounds [BR:br08003]
 Others
  Tannins and galloyl derivatives
   Ellagitannins
    C10229  Gemin A
Other DBs
CAS: 82220-61-9
PubChem: 12415
ChEBI: 5297
KNApSAcK: C00002925
3DMET: B03656
NIKKAJI: J492.804K
LinkDB
KCF data

ATOM        134
            1   C8y C    39.4827  -25.3345
            2   C8y C    38.3291  -26.0016
            3   C8x C    38.3309  -27.3423
            4   C8y C    39.4923  -28.0181
            5   C8y C    40.6589  -27.3391
            6   C8y C    40.6572  -25.9985
            7   O1a O    41.8851  -25.4635
            8   O1a O    41.8203  -28.0149
            9   O1a O    39.4942  -29.3589
            10  C7x C    37.1679  -25.3323
            11  C8y C    39.4547  -22.4838
            12  C8y C    28.4543  -23.0932
            13  C7a C    29.6503  -22.4087
            14  O7a O    31.1142  -23.1850
            15  O6a O    29.6503  -21.0328
            16  C8x C    27.2657  -22.4087
            17  C8y C    26.0698  -23.0932
            18  C8y C    26.0698  -24.4690
            19  C8y C    27.2657  -25.1606
            20  C8x C    28.4543  -24.4690
            21  O1a O    24.8811  -22.4087
            22  O1a O    24.8811  -25.1606
            23  O1a O    27.2657  -26.5365
            24  C7a C    32.1659  -25.2453
            25  O7a O    33.4958  -24.5537
            26  O6a O    30.9701  -24.5537
            27  C8y C    32.1659  -26.6212
            28  C1y C    32.2992  -21.1105
            29  C1y C    32.2998  -22.4863
            30  C1y C    33.4963  -23.1772
            31  C1y C    34.6844  -22.4920
            32  C1y C    34.6837  -21.1092
            33  O2x O    33.4947  -20.4254
            34  C8x C    30.9769  -27.3018
            35  C8y C    32.1727  -29.3692
            36  C8y C    33.3615  -28.6776
            37  C8x C    33.3615  -27.3018
            38  C8y C    30.9769  -28.6776
            39  O1a O    34.5501  -29.3692
            40  O1a O    32.1727  -30.7451
            41  O1a O    29.7881  -29.3692
            42  C1x C    35.8722  -20.4240
            43  O7x O    37.0683  -21.1080
            44  C7x C    38.2568  -20.4228
            45  C8y C    39.4530  -21.1066
            46  O6a O    38.2561  -19.0469
            47  C8y C    40.6442  -23.1699
            48  C8y C    41.8327  -22.4848
            49  C8y C    41.8318  -21.1088
            50  C8x C    40.6427  -20.4179
            51  O1a O    43.0201  -20.4167
            52  O1a O    43.0216  -23.1686
            53  O1a O    40.6449  -24.5457
            54  O6a O    35.9748  -26.0285
            55  O7x O    37.1579  -23.5571
            56  O7a O    32.2892  -19.3812
            57  C1y C    21.8124  -14.3206
            58  C1y C    22.9501  -13.6502
            59  C1y C    20.7005  -13.6502
            60  O7x O    21.8138  -15.5373
            61  C1y C    22.9501  -12.3618
            62  O7x O    24.0750  -14.3573
            63  C1y C    20.7005  -12.3618
            64  O7x O    18.6179  -14.7172
            65  C7x C    20.8722  -16.2359
            66  O2x O    21.8124  -11.7169
            67  C7x C    24.0750  -15.6727
            68  C1x C    19.5931  -11.7169
            69  C7x C    18.6179  -16.1573
            70  C8y C    20.8360  -17.4657
            71  O6a O    19.7886  -15.6124
            72  C8y C    25.1939  -16.3162
            73  O6a O    22.9558  -16.3162
            74  O7x O    18.5979  -12.5487
            75  C8y C    17.4990  -16.8079
            76  O6a O    19.7020  -16.8315
            77  C8x C    19.7169  -18.1397
            78  C8y C    21.9724  -18.0929
            79  C8y C    25.1939  -17.6291
            80  C8x C    26.3129  -15.6727
            81  C7x C    17.4792  -11.8981
            82  C8x C    17.4990  -18.1207
            83  C8y C    16.3740  -16.1573
            84  C8y C    19.7286  -19.4399
            85  C8y C    22.0017  -19.3989
            86  C8y C    26.3129  -18.2841
            87  C8y C    27.4496  -16.3162
            88  C8y C    16.3529  -12.5487
            89  O6a O    17.4792  -10.6040
            90  C8y C    16.3740  -18.7763
            91  C8y C    15.2377  -16.8079
            92  C8y C    20.8839  -20.0728
            93  O1a O    18.6155  -20.1078
            94  O1a O    23.1323  -20.0191
            95  C8y C    27.4496  -17.6291
            96  O1a O    26.3129  -19.5798
            97  O1a O    28.4356  -15.6669
            98  C8y C    16.3529  -13.8557
            99  C8x C    15.2411  -11.8981
            100 C8y C    15.2377  -18.1207
            101 O1a O    16.3798  -20.0772
            102 O1a O    14.1187  -16.1573
            103 O1a O    20.8534  -21.5715
            104 O1a O    28.5813  -18.2667
            105 C8y C    15.2411  -14.5241
            106 C8y C    14.1046  -12.5487
            107 O1a O    14.1187  -18.7586
            108 C8y C    14.1046  -13.8557
            109 O1a O    15.2411  -15.8120
            110 O1a O    12.9785  -11.8923
            111 O1a O    12.9727  -14.5065
            112 O7a O    24.1152  -11.6798
            113 C7a C    25.2923  -12.3530
            114 C8y C    26.4505  -11.6710
            115 O6a O    25.2975  -13.7004
            116 C8y C    27.6152  -12.3497
            117 C8y C    28.7873  -11.6680
            118 C8y C    28.7820  -10.3203
            119 C8y C    27.6049   -9.6472
            120 C8x C    26.4469  -10.3291
            121 O1a O    27.5998   -8.2997
            122 O1a O    29.9471   -9.6383
            123 O1a O    29.9574  -12.3409
            124 O2a O    28.8088  -14.6430
            125 C7a C    31.1298  -18.7023
            126 O6a O    29.9581  -19.3654
            127 C8y C    31.1380  -17.3544
            128 C8x C    32.3692  -16.6892
            129 C8y C    32.3075  -15.3414
            130 C8y C    31.1439  -14.6571
            131 C8y C    29.9795  -15.3272
            132 C8x C    29.9712  -16.6750
            133 O1a O    33.4861  -14.6713
            134 O1a O    31.1522  -13.3093
BOND        148
            1    24  26 2
            2     6   7 1
            3    24  27 1
            4    13  14 1
            5     5   8 1
            6    13  15 2
            7    29  14 1 #Up
            8     4   9 1
            9     2  10 1
            10    1   2 2
            11    2   3 1
            12   29  30 1
            13   30  31 1
            14   31  32 1
            15   32  42 1 #Down
            16   32  33 1
            17   42  43 1
            18   33  28 1
            19   43  44 1
            20   28  29 1
            21   44  45 1
            22   30  25 1 #Down
            23   44  46 2
            24    3   4 2
            25   12  16 1
            26   16  17 2
            27   17  18 1
            28   45  11 1
            29   11  47 2
            30   47  48 1
            31   48  49 2
            32   49  50 1
            33   50  45 2
            34   27  34 1
            35   49  51 1
            36   34  38 2
            37   48  52 1
            38   35  36 2
            39   47  53 1
            40   36  37 1
            41   10  54 2
            42   10  55 1
            43   37  27 2
            44   31  55 1 #Up
            45   28  56 1 #Up
            46   18  19 2
            47   35  38 1
            48   19  20 1
            49   36  39 1
            50   20  12 2
            51   35  40 1
            52    4   5 1
            53   38  41 1
            54   17  21 1
            55   18  22 1
            56    1  11 1
            57   19  23 1
            58    5   6 2
            59    6   1 1
            60   24  25 1
            61   12  13 1
            62   85  94 1
            63   86  95 1
            64   86  96 1
            65   87  97 1
            66   88  98 1
            67   88  99 2
            68   90 100 1
            69   90 101 1
            70   91 102 1
            71   92 103 1
            72   95 104 1
            73   98 105 2
            74   99 106 1
            75  100 107 1
            76  105 108 1
            77  105 109 1
            78  106 110 1
            79  108 111 1
            80   63  66 1
            81   85  92 2
            82   87  95 2
            83   91 100 2
            84  106 108 2
            85   98  83 1
            86   78  79 1
            87   61 112 1 #Down
            88  112 113 1
            89  113 114 1
            90  113 115 2
            91  114 116 2
            92  116 117 1
            93  117 118 2
            94  118 119 1
            95  119 120 2
            96  120 114 1
            97  119 121 1
            98  118 122 1
            99  117 123 1
            100 116 124 1
            101  57  58 1
            102  57  59 1
            103  57  60 1 #Up
            104  58  61 1
            105  58  62 1 #Down
            106  59  63 1
            107  59  64 1 #Down
            108  60  65 1
            109  61  66 1
            110  62  67 1
            111  63  68 1 #Up
            112  64  69 1
            113  65  70 1
            114  65  71 2
            115  67  72 1
            116  67  73 2
            117  68  74 1
            118  69  75 1
            119  69  76 2
            120  70  77 1
            121  70  78 2
            122  72  79 1
            123  72  80 2
            124  56 125 1
            125  74  81 1
            126 125 126 2
            127  75  82 1
            128 125 127 1
            129  75  83 2
            130  77  84 2
            131  78  85 1
            132  79  86 2
            133  80  87 1
            134 127 128 1
            135 128 129 2
            136 129 130 1
            137 130 131 2
            138 131 132 1
            139 132 127 2
            140  81  88 1
            141 129 133 1
            142  81  89 2
            143 130 134 1
            144 131 124 1
            145  82  90 2
            146  83  91 1
            147  84  92 1
            148  84  93 1

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