KEGG   COMPOUND: C20178
Entry
C20178                      Compound                               
Name
Sesquithujene;
(+)-Sesquithujene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.3511
Structure
Reaction
Enzyme
Other DBs
PubChem: 163311921
KNApSAcK: C00011967
KCF data

ATOM        15
            1   C1a C    13.4371  -16.1902
            2   C2c C    14.5953  -15.5216
            3   C2b C    15.7535  -16.1902
            4   C1b C    16.9117  -15.5216
            5   C1b C    18.0698  -16.1902
            6   C1c C    19.2280  -15.5216
            7   C1z C    20.3862  -16.1907
            8   C1a C    14.5953  -14.1844
            9   C1a C    19.2280  -14.1845
            10  C1x C    20.3858  -17.5276
            11  C1y C    21.5437  -18.1966
            12  C2y C    22.7021  -17.5283
            13  C2x C    22.7025  -16.1915
            14  C1x C    21.5446  -15.5224
            15  C1a C    23.8817  -18.2102
BOND        16
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   8 1
            8     6   9 1 #Down
            9     7  10 1 #Down
            10   11  10 1 #Down
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14    7  14 1
            15    7  11 1
            16   12  15 1

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