| Name |
(Z)-Neochlorogenic acid
cis-3-O-Caffeoylquinic acid |
| Formula |
C16H18O9 |
| Mw |
354.09508217 |
| CAS RN |
32719-11-2 |
| C_ID |
C00055767
|
| InChIKey |
CWVRJTMFETXNAD-DJTMHQFBSA-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 |
OC1=CC=C(/C=CC(O[C@@H]2C[C@](C(O)=O)(O)C[C@@H](O)[C@@H]2O)=O)C=C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ericaceae | Rhododendron calophytum | Ref. |
| Plantae | Ericaceae | Rhododendron kaempferi | Ref. |
| Plantae | Ericaceae | Rhododendron micranthum | Ref. |
| Plantae | Ericaceae | Rhododendron oreotrephes | Ref. |
| Plantae | Ericaceae | Rhododendron praevernum | Ref. |
|
|
zoom in
| Organism | Rhododendron praevernum |
|---|
| Reference | Jaiswal, R. et al., J. Mass. Spectrom. 47, (2012), 502-515. |
|---|
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