| Entry |
|
|---|
| Name |
Caffeic aldehyde;
3,4-Dihydroxycinnamaldehyde;
Caffeyl aldehyde
|
|---|
| Formula |
C9H8O3
|
|---|
| Exact mass |
164.0473
|
|---|
| Mol weight |
164.16
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Monolignols
Caffeate derivatives
C10945 Caffeic aldehyde
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 12
1 C8y C 27.4518 -19.5169
2 C8x C 27.4518 -20.9210
3 C8x C 26.2583 -21.6230
4 C8y C 24.9946 -20.9210
5 C8y C 24.9946 -19.5169
6 C8x C 26.2583 -18.8149
7 O1a O 23.8012 -21.6230
8 O1a O 23.8012 -18.8149
9 C2b C 28.6452 -18.8149
10 C2b C 29.8387 -19.5169
11 C4a C 31.0322 -18.8149
12 O4a O 32.2397 -19.4992
BOND 12
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 5 8 1
9 1 9 1
10 9 10 2
11 10 11 1
12 11 12 2
|
|---|
