KEGG   COMPOUND: C20177
Entry
C20177                      Compound                               
Name
7-epi-Sesquithujene;
(+)-7-epi-Sesquithujene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.35
Structure
Reaction
R09901
Enzyme
4.2.3.101
Other DBs
PubChem: 163311920
LinkDB
KCF data

ATOM        15
            1   C1a C    13.4370  -16.1901
            2   C2c C    14.5952  -15.5215
            3   C2b C    15.7534  -16.1901
            4   C1b C    16.9116  -15.5215
            5   C1b C    18.0697  -16.1901
            6   C1c C    19.2279  -15.5215
            7   C1z C    20.3861  -16.1906
            8   C1a C    14.5952  -14.1843
            9   C1a C    19.2279  -14.1844
            10  C1x C    20.3857  -17.5275
            11  C1y C    21.5436  -18.1965
            12  C2y C    22.7020  -17.5282
            13  C2x C    22.7024  -16.1914
            14  C1x C    21.5445  -15.5223
            15  C1a C    23.8816  -18.2101
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 #Up
            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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