KEGG   COMPOUND: C17897
Entry
C17897                      Compound                               
Name
Arecatannin C1
Formula
C45H38O18
Exact mass
866.2058
Mol weight
866.77
Structure
Other DBs
PubChem: 163311890
KNApSAcK: C00009095
LinkDB
KCF data

ATOM        63
            1   C8y C    13.5894  -11.0868
            2   C8x C    13.5894  -12.4283
            3   C8y C    14.8603  -13.1343
            4   C8y C    16.0606  -12.4283
            5   C8y C    16.0606  -11.0868
            6   C8x C    14.8603  -10.3808
            7   C1y C    17.2609  -13.1343
            8   C1y C    18.4612  -12.4283
            9   C1y C    18.4612  -11.0868
            10  O2x O    17.2609  -10.3808
            11  O1a O    14.8603  -14.3346
            12  O1a O    12.3892  -10.3808
            13  C8y C    19.5909  -10.3808
            14  C8y C    17.2609  -15.2525
            15  C8y C    16.0606  -15.9586
            16  C8x C    16.0606  -17.3000
            17  C8y C    17.2609  -18.0061
            18  C8y C    18.4612  -17.3000
            19  C8y C    18.4612  -15.9586
            20  O1a O    14.8603  -15.2525
            21  C1y C    19.5909  -18.0061
            22  C1y C    20.7912  -17.3000
            23  C1y C    20.7912  -15.9586
            24  O2x O    19.5909  -15.2525
            25  C8x C    20.7912  -11.0868
            26  C8y C    21.9914  -10.3808
            27  C8y C    21.9914   -9.0393
            28  C8x C    20.7912   -8.4038
            29  C8x C    19.5909   -9.1099
            30  O1a O    23.1917   -8.3332
            31  O1a O    23.2623  -11.0868
            32  O1a O    19.5909  -13.1343
            33  O1a O    17.2609  -19.2064
            34  C8y C    22.0620  -15.2525
            35  O1a O    22.0620  -18.0061
            36  C8x C    23.2623  -15.8879
            37  C8y C    24.4626  -15.2525
            38  C8y C    24.4626  -13.8404
            39  C8x C    23.2623  -13.1343
            40  C8x C    22.0620  -13.8404
            41  O1a O    25.6629  -13.1343
            42  O1a O    25.6629  -15.9586
            43  C8y C    19.5909  -20.0536
            44  C8y C    18.3906  -20.7597
            45  C8x C    18.3906  -22.1718
            46  C8y C    19.5909  -22.8778
            47  C8y C    20.8618  -22.1718
            48  C8y C    20.8618  -20.7597
            49  C1x C    22.0620  -22.8778
            50  C1y C    23.2623  -22.1718
            51  C1y C    23.2623  -20.7597
            52  O2x O    22.0620  -20.0536
            53  O1a O    17.1903  -20.1242
            54  O1a O    19.5909  -24.0781
            55  C8y C    24.4626  -20.0536
            56  O1a O    24.4626  -22.8778
            57  C8x C    25.6629  -20.7597
            58  C8y C    26.8632  -20.0536
            59  C8y C    26.8632  -18.6415
            60  C8x C    25.6629  -18.0061
            61  C8x C    24.4626  -18.7121
            62  O1a O    28.1341  -17.9355
            63  O1a O    28.1341  -20.7597
BOND        71
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    3  11 1
            13    1  12 1
            14    9  13 1 #Down
            15    7  14 1 #Up
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   15  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   19  24 1
            28   13  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   13  29 1
            34   27  30 1
            35   26  31 1
            36    8  32 1 #Down
            37   17  33 1
            38   23  34 1 #Down
            39   22  35 1 #Up
            40   34  36 2
            41   36  37 1
            42   37  38 2
            43   38  39 1
            44   39  40 2
            45   34  40 1
            46   38  41 1
            47   37  42 1
            48   21  43 1 #Down
            49   43  44 2
            50   44  45 1
            51   45  46 2
            52   46  47 1
            53   47  48 2
            54   43  48 1
            55   47  49 1
            56   49  50 1
            57   50  51 1
            58   51  52 1
            59   48  52 1
            60   44  53 1
            61   46  54 1
            62   51  55 1 #Down
            63   50  56 1 #Up
            64   55  57 2
            65   57  58 1
            66   58  59 2
            67   59  60 1
            68   60  61 2
            69   55  61 1
            70   59  62 1
            71   58  63 1

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