| Name |
3-Caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl ester |
| Formula |
C17H20O9 |
| Mw |
368.11073224 |
| CAS RN |
123483-19-2 |
| C_ID |
C00035932
, 
|
| InChIKey |
MZNIJRAPCCELQX-BADWVSBWNA-N |
| InChICode |
InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 |
| SMILES |
COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Centaurea bracteata Scop. | Ref. |
| Plantae | Asteraceae | Saussurea medusa | Ref. |
| Plantae | Labiatae | Phlomis brunneogaleata | Ref. |
|
|
zoom in
| Organism | Phlomis brunneogaleata |
|---|
| Reference | Kirmizibekmez, et al., Planta Med, 70, (2004), 711.
XIE, et al., Chem Pharm Bull, 53, (2005), 1416. |
|---|
|
