| Name |
Isochlorogenic acid |
| Formula |
C16H18O9 |
| Mw |
354.09508217 |
| CAS RN |
534-61-2 |
| C_ID |
C00039428
, 
|
| InChIKey |
CWVRJTMFETXNAD-AYDNUXNONA-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 |
C1[C@H]([C@@H]([C@@H](C[C@]1(O)C(=O)O)OC(=O)/C=C\c1cc(c(cc1)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Centaurea cyanus  | Ref. |
| Plantae | Asteraceae | Cynara scolymus | Ref. |
| Plantae | Asteraceae | Pterocaulon virgatum | Ref. |
| Plantae | Caprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/Valerianaceae | Lonicera japonica | Ref. |
| Plantae | Lamiaceae | Betonica officinalis | Ref. |
|
|
zoom in
|
