| Entry |
|
|---|
| Name |
Delta9-Tetrahydrocannabinolate
|
|---|
| Formula |
C22H30O4
|
|---|
| Exact mass |
358.2144
|
|---|
| Mol weight |
358.47
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00999 | Biosynthesis of various plant secondary metabolites |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00894 | Cannabidiol biosynthesis, malonyl-CoA => cannabidiol/dronabinol |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1312 Other aromatic polyketides
C21903 Delta9-Tetrahydrocannabinolate
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C1y C 15.2538 -16.0235
2 C8y C 16.4433 -16.7232
3 C1y C 14.0643 -16.7232
4 C2x C 15.2538 -14.6240
5 C8y C 16.4433 -18.0526
6 C8y C 17.6328 -16.0235
7 C1z C 14.0643 -18.0526
8 C1x C 12.8747 -16.0235
9 C2y C 14.0643 -13.9243
10 O2x O 15.2538 -18.7523
11 C8x C 17.6328 -18.7523
12 C8y C 18.8223 -16.7232
13 O1a O 17.6328 -14.6240
14 C1a C 14.0643 -19.7319
15 C1a C 12.5249 -18.7523
16 C1x C 12.8747 -14.6240
17 C1a C 14.0643 -12.5949
18 C8y C 18.8223 -18.0526
19 C1b C 20.0118 -18.7523
20 C1b C 21.2013 -18.0526
21 C1b C 22.3209 -18.7523
22 C1b C 23.5104 -18.0526
23 C1a C 24.6999 -18.7523
24 C6a C 20.0404 -16.0265
25 O6a O 21.2362 -16.7235
26 O6a O 20.0461 -14.6302
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1
11 6 12 2
12 6 13 1
13 7 14 1
14 7 15 1
15 8 16 1
16 9 17 1
17 11 18 2
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 7 10 1
24 9 16 1
25 12 18 1
26 12 24 1
27 24 25 2
28 24 26 1
|
|---|
