KEGG   COMPOUND: C21729
Entry
C21729                      Compound                               
Name
(12E)-Labda-8(17),12,14-triene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Reaction
Enzyme
Other DBs
PubChem: 350078306
KCF data

ATOM        20
            1   C1z C    16.9108  -15.8020
            2   C1y C    16.9747  -17.1529
            3   C1y C    18.1604  -15.1357
            4   C1x C    15.8073  -15.1297
            5   C1a C    16.9671  -14.4695
            6   C1z C    15.8073  -17.8313
            7   C1x C    18.1483  -17.8376
            8   C2y C    19.3158  -15.8142
            9   C1b C    18.0966  -13.7850
            10  C1x C    14.6399  -15.8020
            11  C1x C    14.6399  -17.1529
            12  C1a C    16.4154  -19.3328
            13  C1a C    15.2471  -19.3328
            14  C1x C    19.3158  -17.1652
            15  C2b C    19.8662  -13.1127
            16  C2c C    21.3661  -13.8033
            17  C1a C    21.3533  -15.2119
            18  C2b C    22.5335  -13.1370
            19  C2a C    20.3811  -15.2635
            20  C2a C    23.7573  -13.8515
BOND        21
            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     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    6  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15   15  16 2
            16   16  17 1
            17   16  18 1
            18    8  14 1
            19   10  11 1
            20    8  19 2
            21   18  20 2

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