| Entry |
|
|---|
| Name |
Cembrene;
Thunbergen;
(+)-Thunbergen;
(+)-Cembrene
|
|---|
| Formula |
C20H32
|
|---|
| Exact mass |
272.2504
|
|---|
| Mol weight |
272.4681
|
|---|
| 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 C1y C 29.2071 -21.6116
2 C2x C 28.8753 -20.2609
3 C1x C 28.0252 -22.3569
4 C2x C 27.4837 -20.1677
5 C1x C 26.9539 -21.4602
6 C2y C 26.9189 -18.8752
7 C2y C 25.6673 -22.0133
8 C2x C 25.6148 -18.3512
9 C1a C 27.8970 -17.8738
10 C2x C 24.3630 -21.5010
11 C1a C 25.6904 -23.4106
12 C1x C 24.2524 -18.9451
13 C1x C 23.3092 -22.4209
14 C2x C 23.8157 -20.2143
15 C1x C 22.1099 -21.7048
16 C2y C 22.4184 -20.3365
17 C1a C 21.4985 -19.2828
18 C1c C 30.5460 -21.9704
19 C1a C 31.5309 -20.9784
20 C1a C 30.5389 -23.3634
BOND 20
1 2 4 2
2 3 5 1
3 4 6 1
4 5 7 1
5 6 8 2
6 6 9 1
7 7 10 2
8 7 11 1
9 8 12 1
10 10 13 1
11 12 14 1
12 13 15 1
13 14 16 2
14 16 17 1
15 15 16 1
16 1 18 1
17 1 2 1
18 18 19 1
19 1 3 1
20 18 20 1
|
|---|
