| Entry |
|
|---|
| Name |
Caffeate;
Caffeic acid;
3,4-Dihydroxy-trans-cinnamate;
trans-Caffeate;
(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoate
|
|---|
| Formula |
C9H8O4
|
|---|
| Exact mass |
180.0423
|
|---|
| Mol weight |
180.16
|
|---|
| Structure |
|
|---|
| Comment |
Caffeate (generic) [CPD: C01481]
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00996 | Biosynthesis of various alkaloids |
| map01061 | Biosynthesis of phenylpropanoids |
| map01110 | Biosynthesis of secondary metabolites |
| map01220 | Degradation of aromatic compounds |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Monolignols
Caffeate derivatives
C01197 Caffeate
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 13
1 C8y C 15.1200 -18.6900
2 C8x C 15.1200 -20.0900
3 C8x C 16.3324 -20.7900
4 C8y C 17.5449 -20.0900
5 C8y C 17.5449 -18.6900
6 C8x C 16.3324 -17.9900
7 O1a O 18.7760 -20.8010
8 O1a O 18.7760 -17.9790
9 C2b C 13.9076 -17.9900
10 C2b C 12.7121 -18.6804
11 C6a C 11.5247 -17.9949
12 O6a O 10.3335 -18.6829
13 O6a O 11.5245 -16.5902
BOND 13
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 1
13 11 13 2
|
|---|
