KEGG   COMPOUND: C22008
Entry
C22008                      Compound                               

Name
Dolabradiene;
(4aS,4bR,7S,8aR,10aS)-7-Ethenyl-4b,7,10a-trimethyl-1-methylidenetetradecahydrophenanthrene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Reaction
Enzyme
Other DBs
PubChem: 384585068
KCF data

ATOM        20
            1   C1x C    14.4200  -16.1700
            2   C1x C    14.4200  -17.5700
            3   C2y C    15.6324  -18.2700
            4   C1z C    16.8449  -17.5700
            5   C1y C    16.8449  -16.1700
            6   C1x C    15.6324  -15.4700
            7   C1x C    18.0573  -18.2700
            8   C1x C    19.2697  -17.5700
            9   C1y C    19.2697  -16.1700
            10  C1z C    18.0573  -15.4700
            11  C1x C    20.4822  -15.4700
            12  C1z C    20.4822  -14.0700
            13  C1x C    19.2697  -13.3700
            14  C1x C    18.0573  -14.0700
            15  C2a C    15.6324  -19.6700
            16  C1a C    16.8449  -18.9700
            17  C1a C    20.4822  -12.6700
            18  C2b C    21.6946  -13.3700
            19  C2a C    22.9071  -14.0700
            20  C1a C    16.8449  -14.7700
BOND        22
            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    3  15 2
            18    4  16 1 #Up
            19   12  17 1 #Up
            20   12  18 1 #Down
            21   18  19 2
            22   10  20 1 #Up

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