KEGG   COMPOUND: C22110
Entry
C22110                      Compound                               
Name
Isoelisabethatriene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Reaction
Enzyme
Other DBs
PubChem: 384585163
KCF data

ATOM        20
            1   C1x C    12.9500  -12.8800
            2   C2y C    12.9500  -14.2800
            3   C2x C    14.1624  -14.9800
            4   C2y C    15.3749  -14.2800
            5   C2y C    15.3749  -12.8800
            6   C1x C    14.1624  -12.1800
            7   C1y C    16.5873  -14.9800
            8   C1x C    17.7997  -14.2800
            9   C1x C    17.7997  -12.8800
            10  C1y C    16.5873  -12.1800
            11  C1a C    11.7376  -14.9800
            12  C1a C    16.5873  -10.7800
            13  C1c C    16.5873  -16.3800
            14  C1b C    17.8018  -17.0812
            15  C1a C    15.3769  -17.0788
            16  C1b C    18.9983  -16.3902
            17  C2b C    20.1851  -17.0754
            18  C2c C    21.3766  -16.3872
            19  C1a C    22.5660  -17.0739
            20  C1a C    21.3766  -14.9803
BOND        21
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            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    2  11 1
            13   10  12 1 #Down
            14    7  13 1
            15   13  14 1
            16   13  15 1 #Up
            17   14  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   18  20 1

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