KEGG   COMPOUND: C19752
Entry
C19752                      Compound                               
Name
(S)-beta-Macrocarpene;
(1'S)-4',5,5-Trimethyl-1,1'-bi(cyclohexane)-1,3'-diene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.35
Structure
Reaction
R09625 R12226 R12227
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
Enzyme
1.14.14.160     5.5.1.17
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Bisabolanes
    C19752  (S)-beta-Macrocarpene
Other DBs
PubChem: 135626219
LinkDB
KCF data

ATOM        15
            1   C1x C    14.9689  -16.0118
            2   C1x C    14.9689  -17.4103
            3   C1z C    16.1801  -18.1097
            4   C1x C    17.3913  -17.4103
            5   C2y C    17.3913  -16.0118
            6   C2x C    16.1801  -15.3125
            7   C1y C    18.6211  -15.3016
            8   C1a C    15.1912  -19.0985
            9   C1a C    17.1690  -19.0985
            10  C1x C    19.8323  -16.0008
            11  C2x C    21.0435  -15.3016
            12  C2y C    21.0435  -13.9030
            13  C1x C    19.8323  -13.2037
            14  C1x C    18.6211  -13.9030
            15  C1a C    22.2561  -13.2030
BOND        16
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     3   8 1
            9     3   9 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 1
            14    7  14 1
            15    7  10 1
            16   12  15 1

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