KEGG   COMPOUND: C08872Help
Entry
C08872                      Compound                               

Name
Lanceotoxin A
Formula
C32H44O12
Exact mass
620.2833
Mol weight
620.6846
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Bufanolide
    C08872  Lanceotoxin A
BRITE hierarchy
Other DBs
CAS: 93771-82-5
PubChem: 11065
ChEBI: 6371
KNApSAcK: C00003628
3DMET: B02480
NIKKAJI: J2.767.254J
KCF data Show

ATOM        44
            1   C1z C    29.0673  -19.4536
            2   C1z C    29.0615  -20.8306
            3   C1y C    30.2634  -18.7651
            4   C1x C    27.8771  -18.7593
            5   C4a C    29.0556  -18.0708
            6   C1x C    30.2517  -21.5308
            7   C1x C    27.8771  -21.5250
            8   O7a O    29.0498  -22.2076
            9   C1y C    31.4595  -19.4653
            10  C1x C    30.2050  -17.3881
            11  C1x C    26.6693  -19.4536
            12  O4a O    27.8537  -17.3764
            13  C1x C    31.4595  -20.8423
            14  C1y C    26.6693  -20.8306
            15  C7a C    30.2400  -22.8902
            16  C1z C    32.6497  -18.7827
            17  C1x C    31.4828  -16.7055
            18  O7a O    25.4789  -21.5250
            19  C1a C    30.2400  -24.2731
            20  O6a O    31.4361  -22.2018
            21  C1z C    32.5973  -17.4057
            22  C1x C    35.0945  -18.7418
            23  O1a O    32.6380  -20.1538
            24  C7a C    24.2828  -20.8306
            25  C1y C    33.8634  -16.7346
            26  C1a C    32.5856  -16.0228
            27  C1x C    35.0419  -17.4348
            28  C1c C    23.0867  -21.5250
            29  O6a O    24.2828  -19.4536
            30  C8y C    33.8751  -15.3460
            31  C1c C    21.8906  -20.8306
            32  O1a O    23.0809  -22.9078
            33  C8x C    35.0653  -14.6517
            34  C8x C    32.6789  -14.6634
            35  C1c C    20.7004  -21.5250
            36  O1a O    21.8848  -19.4536
            37  C8x C    35.0595  -13.2688
            38  O7x O    32.6673  -13.2805
            39  C1c C    19.5100  -20.8306
            40  O1a O    20.6945  -22.9078
            41  C8y C    33.8634  -12.5803
            42  C1a C    18.3209  -21.5250
            43  O1a O    19.4984  -19.4536
            44  O6a O    33.8517  -11.2177
BOND        48
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    5  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   10  17 1
            17   14  18 1 #Up
            18   15  19 1
            19   15  20 2
            20   16  21 1
            21   16  22 1
            22   16  23 1 #Up
            23   18  24 1
            24   21  25 1
            25   21  26 1 #Up
            26   22  27 1
            27   24  28 1
            28   24  29 2
            29   25  30 1
            30   28  31 1
            31   28  32 1 #Down
            32   30  33 1
            33   30  34 2
            34   31  35 1
            35   31  36 1 #Up
            36   33  37 2
            37   34  38 1
            38   35  39 1
            39   35  40 1 #Up
            40   37  41 1
            41   39  42 1
            42   39  43 1 #Down
            43   41  44 2
            44    9  13 1
            45   11  14 1
            46   17  21 1
            47   25  27 1
            48   38  41 1

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