KEGG   COMPOUND: C10232
Entry
C10232                      Compound                               
Name
Isoterchebin;
Trapain
Formula
C41H30O27
Exact mass
954.0974
Mol weight
954.6607
Structure
Brite
Phytochemical compounds [BR:br08003]
 Others
  Tannins and galloyl derivatives
   Ellagitannins
    C10232  Isoterchebin
Other DBs
CAS: 58690-20-3
PubChem: 12418
ChEBI: 6065
KNApSAcK: C00002928
3DMET: B03659
NIKKAJI: J499.314D
LinkDB
KCF data

ATOM        68
            1   C1y C    28.8423  -18.1642
            2   C1y C    30.0013  -17.4867
            3   C1y C    27.7093  -17.4867
            4   O7a O    28.8366  -19.4088
            5   C1y C    30.0013  -16.1701
            6   O7a O    31.1470  -18.2148
            7   C1y C    27.7093  -16.1701
            8   O7x O    25.5774  -18.5818
            9   C7a C    27.8741  -20.1215
            10  O2x O    28.8423  -15.5183
            11  O7a O    31.1529  -15.5183
            12  C7a C    31.1470  -19.5443
            13  C1x C    26.5739  -15.5183
            14  C7x C    25.5774  -20.0429
            15  C8y C    27.8378  -21.3866
            16  O6a O    26.7694  -19.4909
            17  C7a C    32.3000  -14.8539
            18  C8y C    32.2871  -20.2089
            19  O6a O    30.0070  -20.2089
            20  O7x O    25.5574  -16.3640
            21  C8y C    24.4303  -20.7076
            22  O6a O    26.6757  -20.7309
            23  C8x C    26.6977  -22.0675
            24  C8x C    28.9952  -22.0208
            25  C8y C    33.4331  -15.5243
            26  O6a O    32.3059  -13.5302
            27  C8x C    32.2871  -21.5429
            28  C8x C    33.4274  -19.5443
            29  C7x C    24.4105  -15.6994
            30  C8x C    24.4303  -22.0485
            31  C8y C    26.6394  -23.3957
            32  C8y C    28.9545  -23.3548
            33  C8x C    33.4331  -16.8583
            34  C8x C    34.5976  -14.8596
            35  C8y C    33.4274  -22.2190
            36  C8y C    34.5919  -20.2089
            37  C2y C    23.1304  -16.2240
            38  O6a O    24.4105  -14.3770
            39  C8y C    23.2916  -22.7252
            40  C8y C    22.1269  -20.7076
            41  C8y C    27.8858  -24.0429
            42  O1a O    25.5750  -24.0780
            43  O1a O    30.1833  -23.9893
            44  C8y C    34.5976  -17.5277
            45  C8y C    35.7378  -15.5243
            46  C8y C    34.5919  -21.5429
            47  O1a O    33.4274  -23.5356
            48  O1a O    35.7320  -19.5454
            49  C1y C    23.1304  -17.5592
            50  C2x C    21.9903  -15.5594
            51  C8y C    22.1269  -22.0485
            52  O1a O    23.2973  -24.0473
            53  O1a O    27.8553  -25.5768
            54  C8y C    35.7915  -16.8104
            55  O1a O    34.5976  -18.6410
            56  O1a O    36.8920  -14.8596
            57  O1a O    35.7378  -22.2016
            58  C1z C    21.9903  -18.2416
            59  C5x C    20.8329  -16.2240
            60  O1a O    20.9869  -22.7076
            61  O1a O    36.8977  -17.5043
            62  C1z C    20.8329  -17.5592
            63  C8y C    23.2917  -20.0489
            64  O1a O    22.2749  -19.2109
            65  O1a O    21.2254  -19.2471
            66  O5x O    19.6589  -15.5456
            67  O2x O    19.1686  -19.4530
            68  O1a O    19.5082  -16.9796
BOND        75
            1     3   7 1
            2     3   8 1 #Down
            3     4   9 1
            4     5  10 1
            5     5  11 1 #Up
            6     6  12 1
            7     7  13 1 #Up
            8     8  14 1
            9     9  15 1
            10    9  16 2
            11   11  17 1
            12   12  18 1
            13   12  19 2
            14   13  20 1
            15   14  21 1
            16   14  22 2
            17   15  23 1
            18   15  24 2
            19   17  25 1
            20   17  26 2
            21   18  27 1
            22   18  28 2
            23   20  29 1
            24   21  30 1
            25   21  63 2
            26   23  31 2
            27   24  32 1
            28   25  33 2
            29   25  34 1
            30   27  35 2
            31   28  36 1
            32   29  37 1
            33   29  38 2
            34   30  39 2
            35   63  40 1
            36   31  41 1
            37   31  42 1
            38   32  43 1
            39   33  44 1
            40   34  45 2
            41   35  46 1
            42   35  47 1
            43   36  48 1
            44   37  49 1
            45   37  50 2
            46   39  51 1
            47   39  52 1
            48   41  53 1
            49   44  54 2
            50   44  55 1
            51   45  56 1
            52   46  57 1
            53   49  58 1
            54   50  59 1
            55   51  60 1
            56   54  61 1
            57   58  62 1
            58    7  10 1
            59   32  41 2
            60   36  46 2
            61   40  51 2
            62   45  54 1
            63   59  62 1
            64   49  63 1 #Down
            65    1   2 1
            66   58  64 1
            67    1   3 1
            68   58  65 1
            69   40  67 1
            70    1   4 1 #Up
            71   59  66 2
            72    2   5 1
            73   62  67 1 #Down
            74    2   6 1 #Down
            75   62  68 1 #Up

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