| Name |
3-cis-O-Caffeoylquinic acid
cis-4-Caffeoylquinic acid
cis-5-O-Caffeoylquinic acid
cis-Chlorogenic acid |
| Formula |
C16H18O9 |
| Mw |
354.09508217 |
| CAS RN |
15016-60-1 |
| C_ID |
C00052976
|
| InChIKey |
CWVRJTMFETXNAD-XYXZIBEBSA-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(/C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ericaceae | Rhododendron kaempferi | Ref. |
| Plantae | Ericaceae | Rhododendron micranthum | Ref. |
| Plantae | Ericaceae | Rhododendron praevernum | Ref. |
| Plantae | Ericaceae | Rhododendron sp. | Ref. |
| Plantae | Ericaceae | Rhododendron ungernii | Ref. |
| Plantae | Solanaceae | Nicotiana tabacum  | Ref. |
|
|
zoom in
| Organism | Rhododendron ungernii |
|---|
| Reference | Jaiswal, R. et al., J. Mass. Spectrom. 47, (2012), 502-515. |
|---|
|
