| Entry |
|
|---|
| Name |
Scoparone;
6,7-Dimethoxycoumarin
|
|---|
| Formula |
C11H10O4
|
|---|
| Exact mass |
206.0579
|
|---|
| Mol weight |
206.1947
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00999 | Biosynthesis of various plant secondary metabolites |
|
|---|
| Enzyme |
2.1.1.-
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Coumarins
Coumarins
C09311 Scoparone
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 15
1 C8y C 18.1300 -20.6500
2 C8y C 18.1300 -22.0500
3 C8x C 19.3424 -22.7500
4 C8y C 20.5549 -22.0500
5 C8y C 20.5549 -20.6500
6 C8x C 19.3424 -19.9500
7 O7x O 21.7673 -22.7500
8 C8y C 22.9797 -22.0500
9 C8x C 22.9797 -20.6500
10 C8x C 21.7673 -19.9500
11 O6a O 24.1773 -22.7415
12 O2a O 16.9176 -19.9500
13 C1a C 15.7221 -20.6404
14 O2a O 16.9176 -22.7500
15 C1a C 15.7221 -22.0596
BOND 16
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 5 10 1
12 8 11 2
13 1 12 1
14 12 13 1
15 2 14 1
16 14 15 1
|
|---|
