KEGG   COMPOUND: C10579
Entry
C10579                      Compound                               
Name
Cephalomannine;
Taxol B
Formula
C45H53NO14
Exact mass
831.3466
Mol weight
831.9006
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Taxanes
    C10579  Cephalomannine
Other DBs
CAS: 71610-00-9
PubChem: 12762
ChEBI: 3536
KNApSAcK: C00002323
3DMET: B05447
NIKKAJI: J55.709I J943.195K
LinkDB
KCF data

ATOM        60
            1   C1c C    21.5839  -16.1250
            2   C1c C    20.3929  -15.4418
            3   O1a O    21.5779  -17.5029
            4   C7a C    22.7695  -15.4367
            5   C1y C    30.9481  -14.5163
            6   C1z C    32.0690  -15.1514
            7   C1y C    30.1505  -15.3841
            8   C1z C    30.9481  -13.2214
            9   C1y C    33.1893  -14.5163
            10  O7a O    32.0573  -16.5516
            11  C1z C    27.6474  -15.3666
            12  O7a O    30.1682  -17.5259
            13  C5x C    29.2512  -12.1419
            14  C1y C    32.0690  -12.5721
            15  C1a C    31.0358  -11.9255
            16  C1x C    33.1893  -13.2214
            17  C7a C    33.2655  -17.2579
            18  C1z C    27.6474  -14.0717
            19  C1x C    26.5267  -16.0275
            20  O1a O    27.6298  -16.6334
            21  C7a C    29.0358  -18.1493
            22  C1y C    26.5326  -12.0777
            23  O5x O    29.2746  -10.7242
            24  O1a O    32.3548  -11.2773
            25  C1a C    34.4853  -16.5749
            26  O6a O    33.2538  -18.6582
            27  C2y C    26.5267  -13.4366
            28  C1a C    28.7330  -13.0869
            29  C1a C    28.7973  -14.6439
            30  C1y C    25.4063  -15.3666
            31  C8y C    29.0183  -19.4512
            32  O6a O    27.9271  -17.4908
            33  O7a O    25.4121  -11.4938
            34  C2y C    25.4063  -14.0717
            35  O7a O    23.9313  -16.1082
            36  C8x C    27.8978  -20.0816
            37  C8x C    30.1448  -20.1108
            38  C7a C    25.4121  -10.2048
            39  C1a C    24.2928  -13.4366
            40  C8x C    27.9444  -21.3649
            41  C8x C    30.1914  -21.4000
            42  C1a C    26.5326   -9.5567
            43  O6a O    24.3045   -9.5567
            44  O6a O    22.7695  -14.0951
            45  C8x C    28.9949  -22.0420
            46  N1b N    20.3946  -14.0424
            47  C5a C    19.1835  -13.3413
            48  O5a O    17.9707  -14.0393
            49  C2c C    19.1852  -11.9418
            50  C8y C    19.1815  -16.1423
            51  C8x C    17.9739  -15.4394
            52  C8x C    16.7627  -16.1399
            53  C8x C    16.7637  -17.5395
            54  C8x C    17.9762  -18.2382
            55  C8x C    19.1874  -17.5376
            56  C1a C    20.3980  -11.2436
            57  C2b C    17.9741  -11.2407
            58  C1a C    17.9758   -9.8411
            59  C1x C    33.2336  -15.8935
            60  O2x O    34.2449  -15.2577
BOND        65
            1     9  16 1
            2    10  17 1
            3    11  18 1
            4    11  19 1
            5    11  20 1 #Up
            6    12  21 1
            7    13  22 1
            8    13  23 2
            9    14  24 1 #Up
            10   17  25 1
            11   17  26 2
            12   18  27 1
            13   18  28 1
            14   18  29 1
            15   19  30 1
            16   21  31 1
            17   21  32 2
            18   22  33 1 #Up
            19   27  34 2
            20   30  35 1 #Down
            21   31  36 2
            22   31  37 1
            23   33  38 1
            24   34  39 1
            25   35   4 1
            26   36  40 1
            27   37  41 2
            28   38  42 1
            29   38  43 2
            30    4  44 2
            31   40  45 2
            32   59  60 1
            33   14  16 1
            34   22  27 1
            35   30  34 1
            36   41  45 1
            37    2  46 1 #Down
            38    4   1 1
            39   46  47 1
            40    1   2 1
            41   47  48 2
            42    1   3 1 #Down
            43   47  49 1
            44    5   6 1
            45    2  50 1
            46    5   7 1
            47    5   8 1
            48    6   9 1
            49    6  10 1 #Down
            50    7  11 1
            51   50  51 2
            52   51  52 1
            53   52  53 2
            54   53  54 1
            55   54  55 2
            56   55  50 1
            57    7  12 1 #Down
            58   49  56 1
            59    8  13 1
            60   49  57 2
            61    8  14 1
            62   57  58 1
            63    6  59 1 #Up
            64    8  15 1 #Up
            65    9  60 1 #Up

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