| Name |
1,3,5-O-Tricaffeoylquinic acid |
| Formula |
C34H30O15 |
| Mw |
678.15847029 |
| CAS RN |
150035-89-5 |
| C_ID |
C00060042
|
| InChIKey |
MSKVJEAKVWAQTA-YOWOTECTSA-N |
| InChICode |
InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(33(45)46,49-31(43)12-6-20-3-9-23(37)26(40)15-20)17-28(32(27)44)48-30(42)11-5-19-2-8-22(36)25(39)14-19/h1-15,27-28,32,35-40,44H,16-17H2,(H,45,46)/b10-4+,11-5+,12-6+/t27-,28-,32-,34+/m1/s1 |
| SMILES |
O=C(C=Cc1ccc(O)c(O)c1)OC1CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Chamaemelum nobile  | Ref. |
|
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