| Entry |
|
|---|
| Name |
Bergaptol;
5-Hydroxypsoralen;
5-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
C00758 Bergaptol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 15
1 C8y C 28.4200 -17.0100
2 C8y C 28.4200 -15.6100
3 C8y C 29.6100 -17.7100
4 C8x C 27.2300 -17.7100
5 C8x C 29.6100 -14.9100
6 O7x O 27.1600 -14.9100
7 C8y C 30.8000 -17.0100
8 O1a O 29.6100 -19.0400
9 C8x C 25.9700 -17.0100
10 C8y C 30.8000 -15.6100
11 C8y C 25.9700 -15.6100
12 C8x C 32.1300 -17.4300
13 O2x O 32.1300 -15.1900
14 O6a O 24.7800 -14.9100
15 C8x C 32.9700 -16.3100
BOND 17
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 2
9 5 10 1
10 6 11 1
11 7 12 1
12 10 13 1
13 11 14 2
14 12 15 2
15 7 10 2
16 9 11 1
17 13 15 1
|
|---|
