| Entry |
|
|---|
| Name |
Xanthotoxol;
8-Hydroxypsoralen;
8-Hydroxyfuranocoumarin
|
|---|
| Formula |
C11H6O4
|
|---|
| Exact mass |
202.0266
|
|---|
| Mol weight |
202.1629
|
|---|
| 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
C00841 Xanthotoxol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 15
1 C8x C 24.6400 -19.9500
2 C8y C 24.6400 -18.5500
3 O7x O 25.8300 -17.8500
4 C8y C 27.0900 -18.5500
5 C8y C 27.0900 -19.9500
6 C8x C 25.8300 -20.6500
7 C8y C 28.2800 -17.8500
8 C8y C 29.4700 -18.5500
9 C8y C 29.4700 -19.9500
10 C8x C 28.2800 -20.6500
11 O2x O 30.8000 -18.1300
12 C8x C 31.6400 -19.2500
13 C8x C 30.8000 -20.3700
14 O1a O 28.2800 -16.4500
15 O6a O 23.4500 -17.8500
BOND 17
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 8 11 1
13 11 12 1
14 12 13 2
15 9 13 1
16 7 14 1
17 2 15 2
|
|---|
