| Entry |
|
|---|
| Name |
Cannabidiolic acid;
Cannabidiolate
|
|---|
| Formula |
C22H30O4
|
|---|
| Exact mass |
358.2144
|
|---|
| Mol weight |
358.4712
|
|---|
| 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
C10784 Cannabidiolic acid
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C1y C 21.2418 -17.5447
2 C8y C 22.4551 -18.2390
3 C1y C 20.0342 -18.2448
4 C2x C 21.2418 -16.1448
5 C8y C 22.4551 -19.6391
6 C8y C 23.6686 -17.5390
7 C1x C 18.8208 -17.5447
8 C2c C 20.0401 -19.6449
9 C2y C 20.0342 -15.4388
10 C8x C 23.6744 -20.3450
11 O1a O 22.4493 -21.0333
12 C8y C 24.8879 -18.2331
13 O1a O 23.6686 -16.1331
14 C1x C 18.8208 -16.1448
15 C1a C 21.1775 -20.4209
16 C2a C 18.8208 -20.3566
17 C1a C 20.0401 -14.0387
18 C8y C 24.8879 -19.6391
19 C1b C 26.1012 -20.3333
20 C1b C 27.3147 -19.6275
21 C1b C 28.5222 -20.3216
22 C1b C 29.7297 -19.6216
23 C1a C 30.9433 -20.3159
24 C6a C 26.0945 -17.5317
25 O6a O 27.3053 -18.2258
26 O6a O 26.0902 -16.1360
BOND 27
1 1 4 1
2 2 5 2
3 2 6 1
4 3 7 1
5 3 8 1 #Down
6 4 9 2
7 5 10 1
8 5 11 1
9 6 12 2
10 6 13 1
11 7 14 1
12 8 15 1
13 8 16 2
14 9 17 1
15 10 18 2
16 18 19 1
17 19 20 1
18 20 21 1
19 21 22 1
20 22 23 1
21 9 14 1
22 12 18 1
23 12 24 1
24 1 2 1
25 24 25 2
26 1 3 1
27 24 26 1
|
|---|
