| Name |
1,3,5-Tri-O-caffeoylquinic acid |
| Formula |
C34H30O15 |
| Mw |
678.15847029 |
| CAS RN |
86632-03-3 |
| C_ID |
C00044045
, 
|
| InChIKey |
OAFXTKGAKYAFSI-OOLJFEKSNA-N |
| InChICode |
InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(46,33(44)45)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)32(27)49-31(43)12-6-20-3-9-23(37)26(40)15-20/h1-15,27-28,32,35-40,46H,16-17H2,(H,44,45)/b10-4+,11-5+,12-6+/t27-,28-,32-,34-/m1/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Xanthium strumarium  | Ref. |
|
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