KNApSAcK Metabolite C00049080
Metabolite
KNApSAcK Entry
| id | C00049080 |
|---|---|
| Name | 3,4-Dicaffeoyl quinic acid / (-)-3,4-Dicaffeoyl quinic acid |
| CAS RN | 114637-83-1 |
| Standard InChI | InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3 |
Cluster
| Phytochemical cluster | No. 6 |
|---|---|
| KCF-S cluster | No. 518 |
Link
ChEMBL
| By standard InChI | CHEMBL464371 |
|---|---|
| By standard InChI Main Layer | CHEMBL464371 CHEMBL516541 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Dichrocephala bicolor | 648857 | Asteraceae | asterids | Viridiplantae |