| Entry |
|
|---|
| Name |
Scopoletin;
7-Hydroxy-6-methoxy-2H-chromen-2-one
|
|---|
| Formula |
C10H8O4
|
|---|
| Exact mass |
192.0423
|
|---|
| Mol weight |
192.17
|
|---|
| 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
Coumarins
C01752 Scopoletin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 14
1 C8y C 22.4000 -17.6400
2 C8y C 22.4000 -19.0400
3 C8x C 23.5900 -19.7400
4 C8y C 24.8500 -19.0400
5 C8y C 24.8500 -17.6400
6 C8x C 23.5900 -16.9400
7 C8x C 21.2100 -16.9400
8 C8x C 19.9500 -17.6400
9 C8y C 19.9500 -19.0400
10 O7x O 21.2100 -19.7400
11 O2a O 26.0400 -16.9400
12 C1a C 26.0400 -15.5400
13 O1a O 26.0400 -19.7400
14 O6a O 18.7434 -19.7500
BOND 15
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 2 10 1
12 5 11 1
13 11 12 1
14 4 13 1
15 9 14 2
|
|---|
