| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C9H6O4
|
|---|
| Exact mass |
178.0266
|
|---|
| Mol weight |
178.1415
|
|---|
| 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
C09263 Esculetin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 13
1 C8y C 28.3325 -17.3890
2 C8y C 28.3849 -16.0011
3 C8x C 27.1020 -18.0655
4 O7x O 29.5162 -18.1355
5 C8x C 27.1894 -15.2606
6 C8x C 29.6153 -15.3480
7 C8y C 25.9765 -17.3248
8 C8y C 30.8167 -17.4064
9 C8y C 25.9532 -15.9194
10 C8x C 30.7991 -16.0828
11 O1a O 24.6703 -17.9895
12 O6a O 31.9362 -18.2229
13 O1a O 24.7578 -15.1846
BOND 14
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 2
9 6 10 2
10 7 11 1
11 8 12 2
12 9 13 1
13 7 9 1
14 8 10 1
|
|---|
