KEGG   COMPOUND: C17624Help
Entry
C17624                      Compound                               

Name
Cinnamtannin A1;
Proanthocyanidin C1;
Procyanidin C1
Formula
C45H38O18
Exact mass
866.2058
Mol weight
866.7724
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 96023968
ChEBI: 75643
ChEMBL: CHEMBL290632
KNApSAcK: C00009098
NIKKAJI: J257.848D
LinkDB All DBs
KCF data Show

ATOM        63
            1   C1y C    29.0359  -25.6835
            2   C8y C    27.8580  -24.9212
            3   C1y C    30.2831  -24.9905
            4   C8y C    27.8580  -23.5354
            5   C8y C    26.6800  -25.6141
            6   C1y C    30.2831  -23.6047
            7   O1a O    31.4611  -25.6835
            8   O2x O    29.1051  -22.9118
            9   C8x C    26.6800  -22.8425
            10  C8x C    25.5020  -24.9212
            11  C8y C    25.5020  -23.5354
            12  O1a O    24.2547  -22.8425
            13  C8y C    31.4611  -22.9118
            14  C8x C    32.6390  -23.6047
            15  C8x C    31.4611  -21.5260
            16  C8y C    33.8863  -22.9118
            17  C8x C    32.7083  -20.8331
            18  C8y C    33.8863  -21.5260
            19  O1a O    35.0643  -23.6047
            20  O1a O    35.1336  -20.8331
            21  C8y C    29.0359  -27.8318
            22  C8y C    30.2831  -28.4554
            23  C8y C    27.8580  -28.4554
            24  C8y C    30.2831  -29.9105
            25  O2x O    31.4611  -27.8318
            26  C8x C    27.8580  -29.9105
            27  C1y C    31.4611  -30.6035
            28  C8y C    29.0359  -30.6035
            29  C1y C    32.6390  -28.5247
            30  C1y C    32.6390  -29.9105
            31  O1a O    33.8170  -30.6035
            32  C8y C    33.8863  -27.8318
            33  C8x C    35.0643  -28.5247
            34  C8x C    33.8863  -26.4460
            35  C8y C    36.2422  -27.8318
            36  C8x C    35.0643  -25.7531
            37  C8y C    36.2422  -26.4460
            38  O1a O    37.4895  -28.5247
            39  O1a O    37.4895  -25.7531
            40  O1a O    26.6800  -27.7625
            41  C8y C    31.4611  -32.6132
            42  C8y C    30.2609  -33.3061
            43  C8x C    30.2609  -34.6920
            44  C8y C    31.4611  -35.3849
            45  C8y C    32.6612  -34.6920
            46  C8y C    32.6612  -33.3061
            47  C1x C    33.8614  -35.3849
            48  C1y C    35.0616  -34.6920
            49  C1y C    35.0616  -33.3061
            50  O2x O    33.8614  -32.6132
            51  C8y C    36.2638  -32.6120
            52  O1a O    36.2638  -35.3861
            53  C8x C    37.4482  -33.2961
            54  C8y C    38.6485  -32.6032
            55  C8y C    38.6486  -31.2173
            56  C8x C    37.4642  -30.5334
            57  C8x C    36.2639  -31.2262
            58  O1a O    29.0142  -31.7124
            59  O1a O    29.0775  -32.6227
            60  O1a O    31.4611  -36.7707
            61  O1a O    39.8585  -30.5188
            62  O1a O    39.8671  -33.3069
            63  O1a O    26.6800  -26.8619
BOND        71
            1    18  20 1
            2    17  18 1
            3     4   9 1
            4     1  21 1 #Up
            5     5  10 2
            6     9  11 2
            7    11  12 1
            8     6   8 1
            9    10  11 1
            10    6  13 1 #Down
            11    1   2 1
            12    1   3 1
            13    2   4 2
            14    2   5 1
            15   21  22 1
            16   21  23 2
            17   22  24 2
            18   22  25 1
            19   23  26 1
            20   24  27 1
            21   24  28 1
            22   25  29 1
            23   27  30 1
            24   30  31 1 #Down
            25   26  28 2
            26   29  30 1
            27    3   6 1
            28   29  32 1 #Down
            29    3   7 1 #Down
            30    4   8 1
            31   13  14 2
            32   13  15 1
            33   14  16 1
            34   15  17 2
            35   16  18 2
            36   32  33 2
            37   32  34 1
            38   33  35 1
            39   34  36 2
            40   35  37 2
            41   35  38 1
            42   37  39 1
            43   36  37 1
            44   23  40 1
            45   16  19 1
            46   27  41 1 #Up
            47   41  42 2
            48   42  43 1
            49   43  44 2
            50   44  45 1
            51   45  46 2
            52   41  46 1
            53   45  47 1
            54   47  48 1
            55   48  49 1
            56   49  50 1
            57   46  50 1
            58   49  51 1 #Down
            59   48  52 1 #Down
            60   51  53 2
            61   53  54 1
            62   54  55 2
            63   55  56 1
            64   56  57 2
            65   51  57 1
            66   28  58 1
            67   42  59 1
            68   44  60 1
            69   55  61 1
            70   54  62 1
            71    5  63 1

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