KEGG   COMPOUND: C16921
Entry
C16921                      Compound                               
Name
Bufadienolide
Formula
C24H34O2
Exact mass
354.2559
Mol weight
354.5256
Structure
Other DBs
CAS: 29565-35-3
PubChem: 96023413
ChEBI: 80798
LinkDB
KCF data

ATOM        26
            1   C1x C    12.1800  -17.7800
            2   C1x C    12.1800  -19.1800
            3   C1x C    13.3924  -19.8800
            4   C1y C    14.6049  -19.1800
            5   C1z C    14.6049  -17.7800
            6   C1x C    13.3924  -17.0800
            7   C1x C    15.8173  -19.8800
            8   C1x C    17.0297  -19.1800
            9   C1y C    17.0297  -17.7800
            10  C1y C    15.8173  -17.0800
            11  C1y C    18.2422  -17.0800
            12  C1z C    18.2422  -15.6800
            13  C1x C    17.0297  -14.9800
            14  C1x C    15.8173  -15.6800
            15  C1x C    20.6670  -17.0800
            16  C1x C    20.6670  -15.6800
            17  C1y C    19.4546  -14.9800
            18  C8y C    19.4546  -13.5800
            19  C8x C    20.6711  -12.8777
            20  C8x C    20.6711  -11.4777
            21  C8y C    19.4586  -10.7777
            22  O7x O    18.2422  -11.4800
            23  C8x C    18.2422  -12.8800
            24  O6a O    19.4586   -9.3800
            25  C1a C    18.2422  -14.2803
            26  C1a C    14.6049  -16.3802
BOND        30
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   18  19 1
            23   19  20 2
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   18  23 2
            28   21  24 2
            29   12  25 1 #Up
            30    5  26 1 #Up

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