| Entry |
|
|---|
| Name |
Isopimpinellin;
5,8-Dimethoxypsoralen
|
|---|
| Formula |
C13H10O5
|
|---|
| Exact mass |
246.0528
|
|---|
| Mol weight |
246.21
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00999 | Biosynthesis of various plant secondary metabolites |
| map01061 | Biosynthesis of phenylpropanoids |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Coumarins
Furanocoumarins
C02162 Isopimpinellin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 18
1 C8y C 28.3500 -16.3100
2 C8y C 28.3500 -17.7100
3 C8y C 29.6100 -15.5400
4 O7x O 27.1600 -15.5400
5 C8y C 29.6100 -18.4100
6 C8x C 27.1600 -18.4100
7 C8y C 30.8000 -16.3100
8 O2a O 29.6100 -14.2800
9 C8y C 25.9700 -16.3100
10 C8y C 30.8000 -17.7100
11 O2a O 29.6100 -19.6000
12 C8x C 25.9700 -17.7100
13 O2x O 32.2000 -15.8200
14 C1a C 30.8700 -13.5800
15 O6a O 24.7800 -15.6100
16 C8x C 32.2000 -18.1300
17 C1a C 28.3500 -20.3700
18 C8x C 32.9700 -17.0100
BOND 20
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 8 14 1
14 9 15 2
15 10 16 1
16 11 17 1
17 13 18 1
18 7 10 2
19 9 12 1
20 16 18 2
|
|---|
