| Entry |
|
|---|
| Name |
Sinapate;
Sinapic acid;
3,5-Dimethoxy-4-hydroxycinnamic acid
|
|---|
| Formula |
C11H12O5
|
|---|
| Exact mass |
224.0685
|
|---|
| Mol weight |
224.21
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01061 | Biosynthesis of phenylpropanoids |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Monolignols
Sinapate derivatives
C00482 Sinapate
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 16
1 C8y C 25.3400 -18.4800
2 C8x C 25.3400 -19.8800
3 C8y C 26.5524 -20.5800
4 C8y C 27.7649 -19.8800
5 C8y C 27.7649 -18.4800
6 C8x C 26.5524 -17.7800
7 O2a O 28.9960 -17.7690
8 C1a C 28.9960 -16.3690
9 O1a O 28.9960 -20.5910
10 O2a O 26.5524 -21.9798
11 C1a C 25.3232 -22.6897
12 C2b C 24.1276 -17.7800
13 C2b C 22.9321 -18.4704
14 C6a C 21.7447 -17.7849
15 O6a O 20.5535 -18.4729
16 O6a O 21.7445 -16.3802
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 5 7 1
8 7 8 1
9 4 9 1
10 3 10 1
11 10 11 1
12 1 12 1
13 12 13 2
14 13 14 1
15 14 15 1
16 14 16 2
|
|---|
