KEGG   COMPOUND: C08963
Entry
C08963                      Compound                               
Name
Oleanoglycotoxin-A
Formula
C48H78O18
Exact mass
942.5188
Mol weight
943.1221
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Oleananes
    C08963  Oleanoglycotoxin-A
Other DBs
CAS: 50657-29-9
PubChem: 11155
ChEBI: 7739
KNApSAcK: C00003537
3DMET: B02565
NIKKAJI: J65.667D
LinkDB
KCF data

ATOM        66
            1   C1y C    15.5436  -22.1079
            2   O2x O    14.3140  -21.4357
            3   C1y C    15.5720  -23.5064
            4   C1y C    13.1795  -22.1566
            5   C1y C    14.3795  -24.2473
            6   O1a O    16.7987  -24.0338
            7   C1y C    13.1469  -23.5698
            8   C1b C    11.8909  -21.4912
            9   O1a O    14.4079  -25.6456
            10  O1a O    11.9487  -24.3008
            11  O1a O    11.8625  -20.0929
            12  C1y C    20.3737  -19.2642
            13  C1y C    20.3930  -20.6606
            14  O2x O    19.1416  -18.5799
            15  C1y C    19.1842  -21.3884
            16  O2a O    21.9023  -21.4900
            17  C1y C    17.9468  -19.2952
            18  C1y C    17.9549  -20.6988
            19  O1a O    19.2054  -22.7927
            20  C1y C    21.9214  -22.8865
            21  C1b C    16.7166  -18.6187
            22  O2a O    16.7570  -21.4193
            23  O2x O    20.6958  -23.5848
            24  C1y C    23.1238  -23.5877
            25  O1a O    16.7033  -17.2122
            26  C1y C    20.7012  -24.9934
            27  C1y C    23.1300  -24.9833
            28  O1a O    24.3399  -22.8707
            29  C1y C    21.9199  -25.6902
            30  C1b C    19.4912  -25.7001
            31  O1a O    24.3457  -25.6853
            32  O1a O    21.9281  -27.0938
            33  C1z C    27.6501  -16.4741
            34  C1z C    28.8615  -15.7869
            35  C1y C    26.4328  -15.7695
            36  C1x C    27.6501  -17.8779
            37  C1a C    28.2626  -15.1405
            38  C2y C    28.8732  -14.3949
            39  C1x C    30.0555  -16.5033
            40  C1a C    28.8499  -17.1790
            41  C1z C    25.2213  -16.4625
            42  C1x C    26.4445  -14.3775
            43  C1x C    26.4269  -18.5768
            44  C1y C    30.0905  -13.7136
            45  C2x C    27.6675  -13.6843
            46  C1x C    31.2785  -15.8218
            47  C1y C    25.2213  -17.8720
            48  C1x C    24.0099  -15.7695
            49  C1a C    25.2155  -15.0648
            50  C1z C    31.2902  -14.4240
            51  C1x C    30.1079  -12.3215
            52  C1z C    24.0099  -18.5709
            53  C1x C    22.7985  -16.4625
            54  C1x C    32.4958  -13.7426
            55  C6a C    32.4842  -15.1229
            56  C1z C    31.3251  -11.6458
            57  C1y C    22.7985  -17.8720
            58  C1a C    23.2993  -19.8524
            59  C1a C    24.6510  -19.9980
            60  C1x C    32.4550  -12.3507
            61  O6a O    33.7015  -14.4182
            62  O6a O    32.4784  -16.5267
            63  C1a C    32.0124  -10.4169
            64  C1a C    30.6146  -10.4169
            65  O2a O    21.5870  -18.5768
            66  O1a O    18.2810  -25.0795
BOND        73
            1     5   7 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     3   5 1
            6     3   6 1 #Down
            7     4   7 1
            8     4   8 1 #Up
            9     5   9 1 #Up
            10    7  10 1 #Down
            11   12  13 1
            12   12  14 1
            13   13  15 1
            14   13  16 1 #Down
            15   14  17 1
            16   15  18 1
            17   15  19 1 #Up
            18   20  16 1 #Up
            19   17  21 1 #Up
            20   18  22 1 #Down
            21   20  23 1
            22   20  24 1
            23   21  25 1
            24   23  26 1
            25   24  27 1
            26   24  28 1 #Down
            27   26  29 1
            28   26  30 1 #Up
            29   27  31 1 #Up
            30   29  32 1 #Down
            31   17  18 1
            32   27  29 1
            33    8  11 1
            34   33  34 1
            35   33  35 1
            36   33  36 1
            37   33  37 1 #Up
            38   34  38 1
            39   34  39 1
            40   34  40 1 #Down
            41   35  41 1
            42   35  42 1
            43   36  43 1
            44   38  44 1
            45   38  45 2
            46   39  46 1
            47   41  47 1
            48   41  48 1
            49   41  49 1 #Up
            50   44  50 1
            51   44  51 1
            52   47  52 1
            53   48  53 1
            54   50  54 1
            55   50  55 1 #Up
            56   51  56 1
            57   52  57 1
            58   52  58 1
            59   52  59 1
            60   54  60 1
            61   55  61 1
            62   55  62 2
            63   56  63 1
            64   56  64 1
            65   57  65 1 #Up
            66   42  45 1
            67   43  47 1
            68   46  50 1
            69   53  57 1
            70   56  60 1
            71   12  65 1 #Up
            72    1  22 1 #Up
            73   30  66 1

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