KEGG   COMPOUND: C22612
Entry
C22612                      Compound                               
Name
(-)-Cyatha-3,12-diene;
(3aS,5aS,10aS)-3a,5a,8-Trimethyl-1-(propan-2-yl)-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]indene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.47
Structure
Reaction
R13099
Enzyme
4.2.3.206
Other DBs
PubChem: 497619971
LinkDB
KCF data

ATOM        20
            1   C1y C    14.2647  -15.1923
            2   C1z C    15.4600  -14.4713
            3   C1x C    16.7763  -14.9497
            4   C2x C    17.2181  -16.2679
            5   C1x C    14.0899  -16.5904
            6   C2y C    16.4645  -17.4508
            7   C1x C    15.0701  -17.5906
            8   C1x C    15.4332  -13.0716
            9   C1x C    14.2075  -12.3949
            10  C1z C    13.0122  -13.1159
            11  C2y C    13.0390  -14.5157
            12  C1x C    11.6727  -12.7089
            13  C1x C    10.8716  -13.8571
            14  C2y C    11.7161  -14.9737
            15  C1c C    11.3054  -16.3261
            16  C1a C     9.9782  -16.6349
            17  C1a C    12.2696  -17.3568
            18  C1a C    13.0122  -11.7159
            19  C1a C    16.6724  -13.7713
            20  C1a C    17.1645  -18.6632
BOND        22
            1     3   4 1
            2     1   5 1
            3     4   6 2
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     2   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    1  11 1
            13   10  12 1
            14   12  13 1
            15   13  14 1
            16   11  14 2
            17   14  15 1
            18   15  16 1
            19   15  17 1
            20   10  18 1 #Up
            21    2  19 1 #Down
            22    6  20 1

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