KEGG   COMPOUND: C20060
Entry
C20060                      Compound                               
Name
Cephalostatin 1
Formula
C54H74N2O10
Exact mass
910.5343
Mol weight
911.1728
Structure
Brite
Natural toxins [BR:br08009]
 Venoms
  Others
   Others
    C20060  Cephalostatin 1
Other DBs
CAS: 112088-56-9
PubChem: 135626526
LinkDB
KCF data

ATOM        66
            1   C2y C    25.1149  -23.2553
            2   C1z C    25.1149  -24.6384
            3   C1y C    26.3127  -25.3300
            4   C1x C    27.5106  -24.6384
            5   C1y C    27.5106  -23.2553
            6   C1y C    26.3127  -22.5637
            7   C2x C    23.9171  -22.5637
            8   C1y C    22.7192  -23.2553
            9   C1z C    22.7192  -24.6384
            10  O2x O    21.5214  -22.5637
            11  C1z C    20.3236  -23.2553
            12  C1y C    20.3236  -24.6384
            13  O2x O    20.3236  -21.8721
            14  C1z C    19.0081  -21.4447
            15  C1x C    18.1951  -22.5637
            16  C1y C    19.0081  -23.6826
            17  C1b C    18.5866  -20.1468
            18  O1a O    17.2595  -19.8642
            19  C1a C    17.6644  -21.2319
            20  O1a O    18.4483  -24.7040
            21  C1a C    19.6320  -25.8362
            22  O1a O    22.7192  -26.0215
            23  C1z C    28.7084  -22.5637
            24  C1y C    28.7084  -21.1806
            25  C1x C    27.5105  -20.4890
            26  C1x C    26.3127  -21.1806
            27  C1x C    29.9063  -23.2552
            28  C8y C    31.1041  -22.5636
            29  C8y C    31.1041  -21.1805
            30  C1x C    29.9062  -20.4889
            31  N5x N    32.3019  -23.2552
            32  C8y C    33.4998  -22.5636
            33  C8y C    33.4997  -21.1805
            34  N5x N    32.3019  -20.4889
            35  C1x C    34.6976  -23.2551
            36  C1y C    35.8954  -22.5635
            37  C1z C    35.8954  -21.1804
            38  C1x C    34.6975  -20.4888
            39  C1x C    37.0933  -23.2551
            40  C1x C    38.2910  -22.5634
            41  C1y C    38.2910  -21.1803
            42  C1y C    37.0932  -20.4888
            43  C2y C    39.4888  -20.4887
            44  C1z C    39.4888  -19.1055
            45  C5x C    38.2909  -18.4140
            46  C1x C    37.0932  -19.1056
            47  C2x C    41.8845  -20.4887
            48  C1x C    41.8844  -19.1055
            49  C1y C    40.6866  -18.4140
            50  C1y C    40.8140  -17.3377
            51  C1x C    38.7298  -17.9078
            52  C1z C    39.9051  -16.6363
            53  O2x O    38.7048  -16.8534
            54  C1y C    40.9531  -15.5183
            55  C1x C    40.3252  -14.2859
            56  C1z C    38.9591  -14.5023
            57  O2x O    38.7427  -15.8683
            58  C1a C    37.9590  -13.5027
            59  C1a C    39.3948  -13.1620
            60  O1a O    42.3363  -15.5183
            61  C1a C    42.0991  -16.7978
            62  C1a C    35.8954  -19.7972
            63  C1a C    28.7084  -23.9468
            64  C1a C    25.1149  -26.0215
            65  O1a O    26.3127  -26.7131
            66  O5x O    37.7847  -17.3075
BOND        78
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 2
            8     7   8 1
            9     8   9 1
            10    2   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14    9  12 1
            15   11  13 1 #Up
            16   13  14 1
            17   14  15 1
            18   15  16 1
            19   11  16 1
            20   14  17 1
            21   17  18 1
            22   14  19 1 #Down
            23   16  20 1 #Down
            24   12  21 1 #Down
            25    9  22 1 #Down
            26    5  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30    6  26 1
            31   23  27 1
            32   27  28 1
            33   28  29 1
            34   29  30 1
            35   24  30 1
            36   28  31 2
            37   31  32 1
            38   32  33 2
            39   33  34 1
            40   29  34 2
            41   32  35 1
            42   35  36 1
            43   36  37 1
            44   37  38 1
            45   33  38 1
            46   36  39 1
            47   39  40 1
            48   40  41 1
            49   41  42 1
            50   37  42 1
            51   41  43 1
            52   43  44 1
            53   44  45 1
            54   45  46 1
            55   42  46 1
            56   43  47 2
            57   47  48 1
            58   48  49 1
            59   44  49 1
            60   49  50 1
            61   44  51 1 #Up
            62   50  52 1
            63   52  53 1
            64   53  51 1
            65   52  54 1
            66   54  55 1
            67   55  56 1
            68   56  57 1
            69   52  57 1 #Up
            70   56  58 1
            71   56  59 1
            72   54  60 1 #Up
            73   50  61 1 #Up
            74   37  62 1 #Up
            75   23  63 1 #Up
            76    2  64 1 #Up
            77    3  65 1 #Up
            78   45  66 2

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