| Entry |
|
|---|
| Name |
Thujone;
(-)-3-Isothujone;
(-)-3-Thujanone
|
|---|
| Formula |
C10H16O
|
|---|
| Exact mass |
152.1201
|
|---|
| Mol weight |
152.2334
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010212 Bicyclic monoterpenoids
C09906 Thujone
Phytochemical compounds [BR:br08003]
Terpenoids
Monoterpenoids (C10)
Cyclic monoterpenes
C09906 Thujone
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 11
1 C1z C 24.5814 -15.8909
2 C1y C 23.7283 -14.7808
3 C1x C 23.1965 -16.0837
4 C1x C 25.9019 -15.4352
5 C1c C 24.5697 -17.2932
6 C1y C 24.5346 -13.6296
7 C5x C 25.8726 -14.0387
8 C1a C 23.3543 -17.9827
9 C1a C 25.7733 -18.0003
10 C1a C 24.0788 -12.3091
11 O5x O 26.9887 -13.1914
BOND 12
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 4 7 1
7 5 8 1
8 5 9 1
9 6 10 1 #Up
10 7 11 2
11 2 3 1
12 6 7 1
|
|---|
