| Entry |
|
|---|
| Name |
beta-Caryophyllene;
Caryophyllene;
(-)-beta-Caryophyllene
|
|---|
| Formula |
C15H24
|
|---|
| Exact mass |
204.1878
|
|---|
| Mol weight |
204.35
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00909 | Sesquiterpenoid and triterpenoid biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0103 C15 isoprenoids (sesquiterpenes)
PR010312 Caryophyllane sesquiterpenoids
C09629 beta-Caryophyllene
Phytochemical compounds [BR:br08003]
Terpenoids
Sesquiterpenoids (C15)
Humulenes
C09629 beta-Caryophyllene
|
|---|
| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 15
1 C1y C 27.3844 -17.0485
2 C1y C 27.3844 -18.4749
3 C1x C 28.3885 -16.0575
4 C1z C 25.9521 -17.0544
5 C1x C 25.9521 -18.4808
6 C2y C 28.3885 -19.4907
7 C1x C 29.8147 -16.0575
8 C1a C 24.9317 -16.0458
9 C1a C 24.5611 -17.4252
10 C1x C 29.8147 -19.4907
11 C2a C 27.8489 -20.8055
12 C2y C 30.8188 -17.0485
13 C1x C 30.8188 -18.4749
14 C2x C 29.8030 -18.0643
15 C1a C 32.1865 -16.6791
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 1
9 6 10 1
10 6 11 2
11 7 12 1
12 10 13 1
13 12 14 2
14 12 15 1
15 4 5 1
16 13 14 1
|
|---|
