KEGG   COMPOUND: C17892Help
Entry
C17892                      Compound                               

Name
Arecatannin B1
Formula
C45H38O18
Exact mass
866.2058
Mol weight
866.7724
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 163311885
KNApSAcK: C00009089
LinkDB All DBs
KCF data Show

ATOM        63
            1   C8y C    19.7681  -16.1110
            2   C8x C    19.7681  -17.4997
            3   C8y C    20.9706  -18.1940
            4   C8y C    22.1733  -17.4997
            5   C8y C    22.1733  -16.1110
            6   C8x C    20.9706  -15.4167
            7   C1y C    23.3758  -18.1940
            8   C1y C    24.5785  -17.4997
            9   C1y C    24.5785  -16.1110
            10  O2x O    23.3758  -15.4167
            11  O1a O    20.9706  -19.3741
            12  O1a O    18.5655  -15.4167
            13  C8y C    25.7664  -15.4251
            14  C8y C    23.3758  -20.2769
            15  C8y C    22.1753  -20.9701
            16  C8x C    22.1753  -22.3587
            17  C8y C    23.3778  -23.0530
            18  C8y C    24.5785  -22.3599
            19  C8y C    24.5785  -20.9712
            20  O1a O    20.9905  -20.2859
            21  C1y C    25.7811  -23.0542
            22  C1y C    26.9837  -22.3599
            23  C1y C    26.9837  -20.9712
            24  O2x O    25.7811  -20.2769
            25  C8x C    26.9449  -16.1057
            26  C8y C    28.1476  -15.4114
            27  C8y C    28.1477  -14.0228
            28  C8x C    26.9690  -13.3423
            29  C8x C    25.7665  -14.0365
            30  O1a O    29.3641  -13.3203
            31  O1a O    29.3687  -16.1167
            32  O1a O    25.7664  -18.1855
            33  O1a O    23.3778  -24.2346
            34  C8y C    28.1903  -20.2745
            35  O1a O    28.1903  -23.0566
            36  C8x C    29.3781  -20.9605
            37  C8y C    30.5808  -20.2663
            38  C8y C    30.5810  -18.8777
            39  C8x C    29.3931  -18.1918
            40  C8x C    28.1904  -18.8859
            41  O1a O    31.7928  -18.1780
            42  O1a O    31.8020  -20.9715
            43  C8y C    25.7811  -25.1370
            44  C8y C    24.5993  -25.8196
            45  C8y C    24.5995  -27.2082
            46  C8y C    25.8023  -27.9023
            47  C8x C    26.9841  -27.2197
            48  C8y C    26.9838  -25.8311
            49  O1a O    23.4236  -25.1410
            50  O1a O    28.1900  -25.1344
            51  C1x C    23.3970  -27.9027
            52  C1y C    23.3972  -29.2914
            53  C1y C    24.6000  -29.9855
            54  O2x O    25.8025  -29.2910
            55  O1a O    22.1757  -29.9970
            56  C8y C    24.6000  -31.3858
            57  C8x C    23.4187  -32.0681
            58  C8y C    23.4189  -33.4568
            59  C8y C    24.6217  -34.1509
            60  C8x C    25.8030  -33.4686
            61  C8x C    25.8028  -32.0799
            62  O1a O    22.2333  -34.1420
            63  O1a O    24.6219  -35.5520
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 #Down
            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 #Up
            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   44  49 1
            56   48  50 1
            57   45  51 1
            58   51  52 1
            59   52  53 1
            60   53  54 1
            61   46  54 1
            62   52  55 1 #Up
            63   53  56 1 #Down
            64   56  57 2
            65   57  58 1
            66   58  59 2
            67   59  60 1
            68   60  61 2
            69   56  61 1
            70   58  62 1
            71   59  63 1

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