KEGG   COMPOUND: C08873
Entry
C08873                      Compound                               
Name
Lanceotoxin B
Formula
C32H44O11
Exact mass
604.2884
Mol weight
604.6852
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Bufanolide
    C08873  Lanceotoxin B
Other DBs
CAS: 93802-98-3
PubChem: 11066
ChEBI: 6372
3DMET: B02481
NIKKAJI: J850.124F
LinkDB
KCF data

ATOM        43
            1   C1y C    23.0899  -21.4920
            2   C1y C    23.1254  -22.8765
            3   O2x O    21.8770  -20.8297
            4   C1y C    21.9430  -23.5959
            5   O1a O    24.3383  -23.5386
            6   C1y C    20.6968  -21.5571
            7   C1y C    20.7299  -22.9338
            8   O1a O    21.9812  -24.9755
            9   C1a C    19.4839  -20.8949
            10  O1a O    19.5554  -23.6509
            11  C1z C    27.8907  -18.7311
            12  C1z C    27.8849  -20.1131
            13  C1y C    29.0859  -18.0490
            14  C1x C    26.7013  -18.0431
            15  C4a C    27.8790  -17.3550
            16  C1x C    26.7013  -20.8068
            17  C1x C    29.0743  -20.8127
            18  O7a O    27.8732  -21.4891
            19  C1y C    30.2755  -18.7487
            20  C1x C    29.0976  -16.6729
            21  C1x C    25.5001  -18.7311
            22  O4a O    26.6837  -16.6613
            23  C1y C    25.5001  -20.1131
            24  C1x C    30.2755  -20.1247
            25  C7a C    29.0626  -22.1712
            26  C1z C    31.4708  -18.0664
            27  C1x C    30.2988  -15.9908
            28  O2a O    24.3048  -20.8068
            29  C1a C    29.0685  -23.5532
            30  O6a O    30.2521  -21.4832
            31  C1z C    31.4882  -16.6904
            32  C1x C    33.9138  -18.0257
            33  O1a O    31.4591  -19.4367
            34  C1y C    32.6835  -16.0199
            35  C1a C    31.4824  -15.3086
            36  C1x C    33.8613  -16.7196
            37  C8y C    32.7011  -14.6322
            38  C8x C    33.8904  -13.9384
            39  C8x C    31.4999  -13.9501
            40  C8x C    33.8788  -12.5565
            41  O7x O    31.4941  -12.5681
            42  C8y C    32.6835  -11.8685
            43  O6a O    32.6777  -10.4875
BOND        48
            1     2   4 1
            2     2   5 1 #Down
            3     3   6 1
            4     4   7 1
            5     4   8 1 #Down
            6     6   9 1 #Down
            7     7  10 1 #Up
            8     6   7 1
            9     1   2 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   12  18 1 #Up
            17   13  19 1
            18   13  20 1
            19   14  21 1
            20   15  22 2
            21   16  23 1
            22   17  24 1
            23   18  25 1
            24   19  26 1
            25   20  27 1
            26   23  28 1 #Up
            27   25  29 1
            28   25  30 2
            29   26  31 1
            30   26  32 1
            31   26  33 1 #Up
            32   31  34 1
            33   31  35 1 #Up
            34   32  36 1
            35   34  37 1
            36   37  38 1
            37   37  39 2
            38   38  40 2
            39   39  41 1
            40   40  42 1
            41   42  43 2
            42   19  24 1
            43   21  23 1
            44   27  31 1
            45   34  36 1
            46   41  42 1
            47    1  28 1 #Up
            48    1   3 1

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