| Name |
1,3,4,5-Tetracaffeoylquinic acid |
| Formula |
C43H36O18 |
| Mw |
840.19016435 |
| CAS RN |
158364-86-4 |
| C_ID |
C00002782
, 
|
| InChIKey |
VTHDRBWIVRFQKI-GHDSGITANA-N |
| InChICode |
InChI=1S/C43H36O18/c44-27-9-1-23(17-31(27)48)5-13-37(52)58-35-21-43(42(56)57,61-40(55)16-8-26-4-12-30(47)34(51)20-26)22-36(59-38(53)14-6-24-2-10-28(45)32(49)18-24)41(35)60-39(54)15-7-25-3-11-29(46)33(50)19-25/h1-20,35-36,41,44-51H,21-22H2,(H,56,57)/b13-5+,14-6+,15-7+,16-8+/t35-,36-,41-,43-/m1/s1 |
| SMILES |
O([C@]1(C[C@H]([C@@H]([C@@H](C1)OC(=O)/C=C/c1ccc(c(c1)O)O)OC(=O)/C=C/c1ccc(c(c1)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O)C(=O)O)C(=O)/C=C/c1cc(c(cc1)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Pluchea symphytifolia | Ref. |
| - | - | family Asteraceae spp. | Ref. |
|
|
zoom in
| Organism | family Asteraceae spp. |
|---|
| Reference | Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998) |
|---|
|
