| Entry |
|
|---|
| Name |
3,4-Dihydroxyphenylpropanoate;
Dihydrocaffeic acid;
3,4-Dihydroxyphenylpropionic acid;
3-(3,4-Dihydroxyphenyl)propanoate
|
|---|
| Formula |
C9H10O4
|
|---|
| Exact mass |
182.0579
|
|---|
| Mol weight |
182.17
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Module |
| M00967 | Flavone degradation, luteolin/apigenin => DHCA/phloretate |
|
|---|
| Enzyme |
|
|---|
| Brite |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 13
1 C8y C 27.4400 -19.5300
2 C8x C 27.4400 -20.9300
3 C8x C 26.1800 -18.8300
4 C8x C 26.1800 -21.6300
5 C8y C 24.9900 -19.5300
6 C8y C 24.9900 -20.9300
7 O1a O 23.7300 -21.6300
8 O1a O 23.8000 -18.8300
9 C1b C 28.6300 -18.8300
10 C1b C 29.8200 -19.5300
11 C6a C 31.0800 -18.7600
12 O6a O 32.2700 -19.4600
13 O6a O 31.0800 -17.4300
BOND 13
1 1 2 1
2 1 3 2
3 2 4 2
4 3 5 1
5 4 6 1
6 6 7 1
7 5 6 2
8 5 8 1
9 1 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 11 13 2
|
|---|
