| Name |
5-Caffeoyl quinic acid
(+)-5-Caffeoyl quinic acid |
| Formula |
C16H18O9 |
| Mw |
354.09508217 |
| CAS RN |
202650-88-2 |
| C_ID |
C00049091
, 
|
| InChIKey |
CWVRJTMFETXNAD-SUJLCHAGNA-N |
| InChICode |
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| SMILES |
O=C(O)[C@@]1(O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Artemisia annua  | Ref. |
| Plantae | Asteraceae | Dichrocephala bicolor | Ref. |
| Plantae | Cruciferae | Arabidopsis thaliana | Ref. |
| - | - | Caffea sp. | Ref. |
|
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