KEGG   COMPOUND: C16797
Entry
C16797                      Compound                               
Name
Sennoside C
Formula
C42H40O19
Exact mass
848.2164
Mol weight
848.7556
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C16797  Sennoside C
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthrone type
    C16797  Sennoside C
Glycosides [BR:br08021]
 O-glycosides
  Anthraquinone glycosides
   C16797  Sennoside C
Other DBs
CAS: 37271-16-2
PubChem: 96023321
ChEBI: 80734
NIKKAJI: J533.819K
LinkDB
KCF data

ATOM        61
            1   C1y C    27.8431  -16.2289
            2   C1y C    27.8430  -19.9365
            3   C8y C    29.0323  -15.5294
            4   C8y C    26.6538  -15.5294
            5   C8y C    29.0322  -20.6361
            6   C8y C    26.6538  -20.6361
            7   C8y C    29.0323  -14.2003
            8   C8x C    30.2215  -16.2289
            9   C8y C    26.6538  -14.1304
            10  C8x C    25.4646  -16.2289
            11  C8y C    29.0322  -21.9652
            12  C8x C    30.2214  -19.9365
            13  C8y C    26.6538  -21.9652
            14  C8x C    25.4646  -19.9365
            15  C5x C    27.8431  -13.5008
            16  C8y C    30.2215  -13.5008
            17  C8y C    31.3407  -15.5294
            18  C8y C    25.4646  -13.5008
            19  C8x C    24.2754  -15.5294
            20  C5x C    27.8430  -22.6647
            21  C8y C    30.1515  -22.6647
            22  C8y C    31.3407  -20.6361
            23  C8y C    25.4646  -22.6647
            24  C8x C    24.2754  -20.6361
            25  O5x O    27.8431  -12.1018
            26  C8x C    31.3407  -14.2003
            27  O1a O    30.2215  -12.1717
            28  C1b C    32.5299  -16.2289
            29  O2a O    25.4646  -12.1018
            30  C8x C    24.2754  -14.1304
            31  O5x O    27.8430  -23.9938
            32  C8x C    31.3407  -21.9652
            33  O1a O    30.1515  -24.0637
            34  C6a C    32.5298  -19.9365
            35  O2a O    25.4646  -23.9938
            36  C8x C    24.2754  -21.9652
            37  O1a O    33.7191  -15.5294
            38  C1y C    24.2754  -11.4023
            39  O6a O    33.7190  -20.6361
            40  C1y C    24.2754  -24.6933
            41  O2x O    24.2754  -10.0732
            42  C1y C    23.0862  -12.1018
            43  O2x O    23.0862  -23.9938
            44  C1y C    24.2754  -26.0224
            45  C1y C    23.0862   -9.3735
            46  C1y C    21.8970  -11.4722
            47  O1a O    23.0862  -13.5008
            48  C1y C    21.8969  -24.6933
            49  C1y C    23.0862  -26.7219
            50  O1a O    25.4646  -26.7219
            51  C1y C    21.8970  -10.0732
            52  C1b C    23.0862   -8.0444
            53  O1a O    20.7777  -12.1018
            54  C1y C    21.8969  -26.0923
            55  C1b C    20.7077  -23.9938
            56  O1a O    23.0862  -28.1211
            57  O1a O    20.7078   -9.3735
            58  O1a O    21.8970   -7.3449
            59  O1a O    20.7077  -26.7219
            60  O1a O    19.5186  -24.6933
            61  O6a O    32.5301  -18.5532
BOND        68
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16    8  17 2
            17    9  18 1
            18   10  19 2
            19   11  20 1
            20   11  21 1
            21   12  22 2
            22   13  23 1
            23   14  24 2
            24   15  25 2
            25   16  26 2
            26   16  27 1
            27   17  28 1
            28   18  29 1
            29   18  30 2
            30   20  31 2
            31   21  32 2
            32   21  33 1
            33   22  34 1
            34   23  35 1
            35   23  36 2
            36   28  37 1
            37   38  29 1 #Up
            38   34  39 1
            39   40  35 1 #Up
            40   38  41 1
            41   38  42 1
            42   40  43 1
            43   40  44 1
            44   41  45 1
            45   42  46 1
            46   42  47 1 #Down
            47   43  48 1
            48   44  49 1
            49   44  50 1 #Down
            50   45  51 1
            51   45  52 1 #Up
            52   46  53 1 #Up
            53   48  54 1
            54   48  55 1 #Up
            55   49  56 1 #Up
            56   51  57 1 #Down
            57   52  58 1
            58   54  59 1 #Down
            59    9  15 1
            60   13  20 1
            61   17  26 1
            62   19  30 1
            63   22  32 1
            64   24  36 1
            65   46  51 1
            66   49  54 1
            67   55  60 1
            68   34  61 2

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