KEGG   COMPOUND: C17814
Entry
C17814                      Compound                               
Name
Gomisin B;
Schisantherin B
Formula
C28H34O9
Exact mass
514.2203
Mol weight
514.5642
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C17814  Gomisin B
Other DBs
CAS: 58546-55-7
PubChem: 96024118
ChEBI: 81352
KNApSAcK: C00007217
NIKKAJI: J305.298B
LinkDB
KCF data

ATOM        37
            1   C8y C    18.2294  -13.9462
            2   C1x C    19.6391  -13.9462
            3   C1y C    20.6259  -14.9330
            4   C1z C    20.6259  -16.3427
            5   C1y C    19.6391  -17.3295
            6   C8y C    18.2294  -17.3295
            7   C8y C    17.2426  -16.3427
            8   C8y C    17.2426  -14.9330
            9   C8x C    17.8770  -12.6069
            10  C8y C    16.4672  -12.2545
            11  C8y C    15.4804  -13.2413
            12  C8y C    15.8329  -14.5806
            13  O2x O    15.8329  -10.9858
            14  C1x C    14.4936  -11.1972
            15  O2x O    14.2117  -12.6069
            16  C8y C    15.8329  -16.6952
            17  C8y C    15.4804  -18.1049
            18  C8y C    16.4672  -19.0917
            19  C8x C    17.8065  -18.7393
            20  O2a O    16.1148  -20.4310
            21  C1a C    14.7756  -20.7834
            22  O2a O    14.1412  -18.4573
            23  C1a C    13.7183  -19.7966
            24  C1a C    13.4363  -14.5806
            25  O2a O    14.6346  -15.2854
            26  O2a O    14.6346  -16.2722
            27  C1a C    13.4363  -16.9771
            28  C1a C    21.8947  -14.3691
            29  C1a C    21.8242  -15.6379
            30  O1a O    21.3308  -17.5410
            31  O7a O    20.2030  -18.5983
            32  C7a C    21.4013  -19.3032
            33  O6a O    22.5996  -18.5983
            34  C2c C    21.4013  -20.7129
            35  C2b C    22.5996  -21.4178
            36  C1a C    20.2030  -21.4178
            37  C1a C    23.7978  -20.7129
BOND        40
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   1 1 #Down
            9     1   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13    8  12 2
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   11  15 1
            18    7  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22    6  19 2
            23   18  20 1
            24   20  21 1
            25   17  22 1
            26   22  23 1
            27   24  25 1
            28   25  12 1
            29   26  16 1
            30   26  27 1
            31    3  28 1 #Down
            32    4  29 1 #Up
            33    4  30 1 #Down
            34    5  31 1 #Up
            35   31  32 1
            36   32  33 2
            37   32  34 1
            38   34  35 2
            39   34  36 1
            40   35  37 1

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