KEGG   COMPOUND: C10215
Entry
C10215                      Compound                               
Name
Chebulinic acid
Formula
C41H32O27
Exact mass
956.1131
Mol weight
956.6766
Structure
Brite
Phytochemical compounds [BR:br08003]
 Others
  Tannins and galloyl derivatives
   Ellagitannins
    C10215  Chebulinic acid
Other DBs
CAS: 18942-26-2
PubChem: 12401
ChEBI: 3584
KNApSAcK: C00002912
3DMET: B03642
NIKKAJI: J1.169.423C
LinkDB
KCF data

ATOM        68
            1   O6a O    27.3338  -19.0436
            2   C7x C    26.0788  -19.0436
            3   C1y C    27.0146  -16.4377
            4   C1y C    28.1607  -15.7595
            5   C1y C    25.8735  -15.7595
            6   C1y C    28.1607  -14.4485
            7   O7x O    29.3149  -16.4884
            8   C1y C    25.8735  -14.4485
            9   O7a O    27.0095  -17.8163
            10  O2x O    27.0146  -13.7891
            11  O7a O    29.3208  -13.7891
            12  C7x C    29.3149  -17.8192
            13  C1b C    24.7369  -13.7891
            14  C7a C    23.9794  -18.9683
            15  C7a C    30.4689  -13.1311
            16  C8y C    30.4560  -18.4776
            17  O6a O    28.1664  -18.4776
            18  O7a O    23.7194  -14.6428
            19  C8y C    22.5911  -18.9839
            20  O6a O    24.3443  -20.0384
            21  C8y C    31.6102  -13.7950
            22  O6a O    30.4748  -11.8130
            23  C8x C    31.6044  -17.8192
            24  C7a C    22.5713  -13.9705
            25  C8x C    22.5911  -20.3332
            26  C8x C    21.4583  -18.3186
            27  C8x C    31.6102  -15.1304
            28  C8x C    32.7761  -13.1368
            29  C8y C    32.7703  -18.4776
            30  C8y C    21.4371  -14.6428
            31  O6a O    22.5713  -12.6466
            32  C8y C    21.4583  -20.9963
            33  C8y C    20.2924  -18.9839
            34  C8y C    32.7761  -15.8005
            35  C8y C    33.9103  -13.7950
            36  C8y C    32.7703  -19.8130
            37  O1a O    33.9045  -17.8134
            38  C8x C    21.4371  -15.9793
            39  C8x C    20.2958  -13.9705
            40  C8y C    20.2924  -20.3332
            41  O1a O    21.4640  -22.3200
            42  O1a O    19.1440  -18.3186
            43  C8y C    33.8869  -15.0825
            44  O1a O    32.7761  -17.1251
            45  O1a O    35.0587  -13.1368
            46  O1a O    33.9103  -20.4793
            47  C8y C    20.2958  -16.6553
            48  C8y C    19.1299  -14.6428
            49  O1a O    19.1440  -20.9787
            50  O1a O    35.0644  -15.7771
            51  C8y C    19.1299  -15.9793
            52  O1a O    20.2958  -17.9029
            53  O1a O    17.9816  -13.9647
            54  O1a O    17.9759  -16.6377
            55  C8y C    31.6044  -20.4968
            56  C8y C    30.4636  -19.8094
            57  C1y C    29.3050  -20.4657
            58  C1y C    29.3571  -21.7886
            59  C7x C    30.4277  -22.4619
            60  O7x O    31.5865  -21.8196
            61  O6a O    30.4790  -23.8390
            62  O7x O    24.6725  -16.4445
            63  O1a O    28.0807  -22.4575
            64  C1y C    26.0837  -20.4388
            65  C1b C    24.9617  -21.2329
            66  C6a C    24.9658  -22.5258
            67  O6a O    23.8499  -23.1757
            68  O6a O    26.0852  -23.1687
BOND        74
            1    12  17 2
            2    13  18 1
            3    14  19 1
            4    14  20 2
            5    15  21 1
            6    15  22 2
            7    16  56 1
            8    16  23 2
            9    18  24 1
            10   19  25 1
            11   19  26 2
            12   21  27 2
            13   21  28 1
            14   23  29 1
            15   24  30 1
            16   24  31 2
            17   25  32 2
            18   26  33 1
            19   27  34 1
            20   28  35 2
            21   55  36 1
            22   29  37 1
            23   30  38 1
            24   30  39 2
            25   32  40 1
            26   32  41 1
            27   33  42 1
            28   34  43 2
            29   34  44 1
            30   35  45 1
            31   36  46 1
            32   38  47 2
            33   39  48 1
            34   40  49 1
            35   43  50 1
            36   47  51 1
            37   47  52 1
            38   48  53 1
            39   51  54 1
            40    8  10 1
            41   29  36 2
            42   33  40 2
            43   35  43 1
            44   48  51 2
            45    1   2 2
            46    3   4 1
            47    3   5 1
            48    4   6 1
            49    4   7 1 #Down
            50   55  56 2
            51   56  57 1
            52   57  58 1
            53   58  59 1
            54   59  60 1
            55   60  55 1
            56    5   8 1
            57   59  61 2
            58    6  10 1
            59    5  62 1 #Down
            60   62   2 1
            61    3   9 1 #Up
            62    6  11 1 #Up
            63   58  63 1 #Up
            64   57  64 1
            65    7  12 1
            66    2  64 1
            67    8  13 1 #Up
            68   64  65 1 #Down
            69    9  14 1
            70   65  66 1
            71   11  15 1
            72   66  67 1
            73   12  16 1
            74   66  68 2

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