KEGG   COMPOUND: C08851
Entry
C08851                      Compound                               
Name
Bipindoside
Formula
C29H44O10
Exact mass
552.2934
Mol weight
552.6537
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Cardanolide
    C08851  Bipindoside
Glycosides [BR:br08021]
 O-glycosides
  Cardiac glycosides
   C08851  Bipindoside
Other DBs
CAS: 6246-79-3
PubChem: 11044
ChEBI: 3115
KNApSAcK: C00003605
3DMET: B02461
NIKKAJI: J72.634F
LinkDB
KCF data

ATOM        39
            1   C1y C    23.9041  -22.7762
            2   C1y C    23.8997  -24.1497
            3   O2x O    22.7086  -22.0730
            4   C1y C    22.7042  -24.8356
            5   O1a O    25.0909  -24.8368
            6   C1y C    21.5100  -22.7639
            7   C1y C    21.5129  -24.1482
            8   O1a O    22.6969  -26.2140
            9   C1a C    20.3167  -22.0686
            10  O1a O    20.3173  -24.8343
            11  C1z C    32.2725  -19.3534
            12  C1y C    31.0778  -20.0351
            13  C1z C    32.2900  -17.9781
            14  C1x C    34.6501  -19.3824
            15  O1a O    32.2551  -20.7287
            16  C1y C    29.8948  -19.3358
            17  C1x C    31.0778  -21.4104
            18  C1y C    33.4904  -17.3078
            19  C1x C    31.1012  -17.2845
            20  C1a C    32.2784  -16.5968
            21  C1x C    34.6677  -18.0071
            22  C1z C    28.6945  -20.0234
            23  C1y C    29.9065  -17.9605
            24  C1x C    29.8832  -22.0980
            25  C2y C    33.4847  -15.9268
            26  C1z C    28.6885  -21.4046
            27  C1x C    27.5056  -19.3300
            28  C1a C    28.6769  -18.6424
            29  O1a O    28.7119  -17.2612
            30  C2x C    34.8600  -15.9908
            31  C1x C    33.0534  -14.6214
            32  C1x C    27.5056  -22.0923
            33  O1a O    28.6711  -22.7740
            34  C1x C    26.3052  -20.0234
            35  C7x C    35.2794  -14.6155
            36  O7x O    34.1723  -13.8114
            37  C1y C    26.3052  -21.4046
            38  O6a O    36.5907  -14.1842
            39  O2a O    25.1163  -22.0923
BOND        44
            1     6   9 1 #Down
            2     7  10 1 #Down
            3     6   7 1
            4     1   2 1
            5     1   3 1
            6     2   4 1
            7     2   5 1 #Down
            8     3   6 1
            9     4   7 1
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   13  18 1
            17   13  19 1
            18   13  20 1 #Up
            19   14  21 1
            20   16  22 1
            21   16  23 1
            22   17  24 1
            23   18  25 1
            24   22  26 1
            25   22  27 1
            26   22  28 1 #Up
            27   23  29 1 #Down
            28   25  30 2
            29   25  31 1
            30   26  32 1
            31   26  33 1 #Up
            32   27  34 1
            33   30  35 1
            34   31  36 1
            35   32  37 1
            36   35  38 2
            37   37  39 1 #Up
            38   18  21 1
            39   19  23 1
            40   24  26 1
            41   34  37 1
            42   35  36 1
            43    1  39 1 #Up
            44    4   8 1 #Down

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