| Entry |
|
|---|
| Name |
Cembrene;
Thunbergen;
(+)-Thunbergen;
(+)-Cembrene
|
|---|
| Formula |
C20H32
|
|---|
| Exact mass |
272.2504
|
|---|
| Mol weight |
272.47
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0104 C20 isoprenoids (diterpenes)
PR010419 Cembrane diterpenoids
C11893 Cembrene
Phytochemical compounds [BR:br08003]
Terpenoids
Diterpenoids (C20)
Cembrenes
C11893 Cembrene
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 C2x C 16.8086 -13.8549
2 C2y C 16.8086 -15.2614
3 C1x C 19.2701 -15.2614
4 C1y C 19.2701 -13.8549
5 C2x C 18.0042 -13.1516
6 C2x C 15.6131 -15.9647
7 C1x C 15.6131 -17.3713
8 C2x C 16.8086 -18.0745
9 C2x C 19.2701 -18.0745
10 C2y C 20.4657 -17.3713
11 C1x C 20.4657 -15.9647
12 C2y C 16.8086 -19.4811
13 C1x C 18.0042 -20.1844
14 C1x C 19.2701 -19.4811
15 C1a C 15.6131 -20.1844
16 C1a C 21.6612 -18.0745
17 C1a C 18.0042 -15.9647
18 C1c C 20.4657 -13.1516
19 C1a C 21.6612 -13.8549
20 C1a C 20.4657 -11.7450
BOND 20
1 1 2 1
2 3 4 1
3 4 5 1
4 1 5 2
5 2 6 2
6 6 7 1
7 7 8 1
8 9 10 2
9 10 11 1
10 3 11 1
11 8 12 2
12 12 13 1
13 13 14 1
14 14 9 1
15 12 15 1
16 10 16 1
17 2 17 1
18 4 18 1
19 18 19 1
20 18 20 1
|
|---|
