input word = C00061793

Metabolite InformationStructural formula
Name 3,4,5-Tricaffeoylquinic acid
Formula C34H30O15
Mw 678.15847029
CAS RN 437611-66-0
C_ID C00061793
InChIKey OAFXTKGAKYAFSI-UPHZGLEOSA-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)
SMILES O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1OC(=O)C=Cc1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
zoom in