KEGG   COMPOUND: C17633
Entry
C17633                      Compound                               
Name
Cinnamtannin D2
Formula
C60H48O24
Exact mass
1152.2536
Mol weight
1153.0087
Structure
Other DBs
PubChem: 96023977
ChEBI: 81231
KNApSAcK: C00009307
LinkDB
KCF data

ATOM        84
            1   C8y C    28.0264  -26.2204
            2   C8y C    26.8580  -26.9077
            3   C8x C    26.8580  -28.2136
            4   C8y C    28.0264  -28.9009
            5   C8y C    29.1261  -28.2136
            6   C8y C    29.1261  -26.9077
            7   C1y C    30.2945  -28.9009
            8   C1y C    31.4629  -28.2136
            9   C1z C    31.4629  -26.9077
            10  O2x O    30.2945  -26.2204
            11  C8y C    32.6313  -26.2204
            12  O1a O    32.6313  -28.9009
            13  C8x C    33.7310  -26.9077
            14  C8y C    34.9681  -26.2204
            15  O1a O    28.0264  -30.2067
            16  O1a O    36.0678  -26.9077
            17  C8y C    34.9681  -24.9146
            18  C8x C    33.7310  -24.2273
            19  C8x C    32.6313  -24.9146
            20  O1a O    36.0678  -24.2273
            21  O1a O    25.7584  -26.3579
            22  C8y C    33.1812  -30.5504
            23  C8y C    33.1812  -31.9250
            24  C8y C    34.3496  -32.6123
            25  C8y C    35.5867  -31.9250
            26  C8x C    35.5867  -30.5504
            27  C8y C    34.3496  -29.8631
            28  O2x O    32.0128  -32.6123
            29  C1y C    32.0128  -33.9869
            30  C1y C    33.1812  -34.6742
            31  C1y C    34.3496  -33.9869
            32  O1a O    33.1812  -36.0488
            33  C8y C    30.8444  -34.6742
            34  C8x C    29.6760  -33.9869
            35  C8x C    28.4388  -34.6742
            36  C8y C    28.4388  -36.0488
            37  C8y C    29.6072  -36.7361
            38  C8x C    30.8444  -36.0488
            39  O1a O    27.2704  -36.7361
            40  O1a O    29.6072  -38.1107
            41  O2x O    34.3496  -28.4885
            42  C8y C    35.9991  -35.1553
            43  C8y C    35.9991  -36.5299
            44  C8x C    37.2362  -37.2172
            45  C8y C    38.4046  -36.5299
            46  C8y C    38.4046  -35.1553
            47  C8y C    37.2362  -34.4680
            48  C1x C    39.5730  -34.4680
            49  C1y C    39.5730  -33.0934
            50  C1y C    38.4046  -32.4061
            51  O2x O    37.2362  -33.0934
            52  O1a O    34.8307  -37.2172
            53  O1a O    39.5730  -37.2172
            54  C8y C    38.4046  -31.0315
            55  O1a O    40.7414  -32.4061
            56  C8x C    39.5730  -30.3442
            57  C8y C    39.5730  -28.9696
            58  C8y C    38.4046  -28.2823
            59  C8x C    37.2362  -28.9696
            60  C8x C    37.2362  -30.3442
            61  O1a O    38.4046  -26.9077
            62  O1a O    40.7414  -28.2823
            63  O1a O    36.4115  -32.5436
            64  C8x C    25.7584  -21.5468
            65  C8y C    24.5900  -22.2341
            66  C8x C    24.5900  -23.5400
            67  C8y C    25.7584  -24.2273
            68  C8y C    26.8580  -23.5400
            69  C8y C    26.8580  -22.2341
            70  C1y C    28.0264  -24.2273
            71  C1y C    29.1949  -23.5400
            72  C1y C    29.1949  -22.2341
            73  O2x O    28.0264  -21.5468
            74  C8y C    30.3633  -21.5468
            75  O1a O    30.3633  -24.2273
            76  C8x C    31.4629  -22.2341
            77  C8y C    32.7001  -21.5468
            78  O1a O    25.7584  -25.3957
            79  O1a O    33.7997  -22.2341
            80  C8y C    32.7001  -20.2409
            81  C8x C    31.4629  -19.5536
            82  C8x C    30.3633  -20.2409
            83  O1a O    33.7997  -19.5536
            84  O1a O    23.3528  -21.6155
BOND        96
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    6  10 1
            12    9  11 1 #Down
            13    8  12 1 #Down
            14   11  13 2
            15   13  14 1
            16   14  17 2
            17   17  18 1
            18   18  19 2
            19   11  19 1
            20    4  15 1
            21   17  20 1
            22   14  16 1
            23    2  21 1
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   22  27 2
            30   23  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   24  31 1
            35   30  32 1 #Up
            36   29  33 1 #Up
            37   33  34 2
            38   34  35 1
            39   35  36 2
            40   36  37 1
            41   37  38 2
            42   33  38 1
            43   36  39 1
            44   37  40 1
            45    7  22 1 #Up
            46   27  41 1
            47    9  41 1 #Up
            48   31  42 1 #Down
            49   42  43 2
            50   43  44 1
            51   44  45 2
            52   45  46 1
            53   46  47 2
            54   42  47 1
            55   46  48 1
            56   48  49 1
            57   49  50 1
            58   50  51 1
            59   47  51 1
            60   43  52 1
            61   45  53 1
            62   50  54 1 #Down
            63   49  55 1 #Up
            64   54  56 2
            65   56  57 1
            66   57  58 2
            67   58  59 1
            68   59  60 2
            69   54  60 1
            70   58  61 1
            71   57  62 1
            72   25  63 1
            73   64  65 2
            74   65  66 1
            75   66  67 2
            76   67  68 1
            77   68  69 2
            78   64  69 1
            79   68  70 1
            80   70  71 1
            81   71  72 1
            82   72  73 1
            83   69  73 1
            84   72  74 1 #Down
            85   71  75 1 #Down
            86   74  76 2
            87   76  77 1
            88   77  80 2
            89   80  81 1
            90   81  82 2
            91   74  82 1
            92   67  78 1
            93   80  83 1
            94   77  79 1
            95   65  84 1
            96   70   1 1 #Up

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