input word = C00061478

Metabolite InformationStructural formula
Name 3,5-Diferuloylquinic acid
Formula C27H28O12
Mw 544.15807636
CAS RN 333753-65-4
C_ID C00061478
InChIKey MOMSOBSYYRIFOP-JRCQBRFGSA-N
InChICode InChI=1S/C27H28O12/c1-36-19-11-15(3-7-17(19)28)5-9-23(30)38-21-13-27(35,26(33)34)14-22(25(21)32)39-24(31)10-6-16-4-8-18(29)20(12-16)37-2/h3-12,21-22,25,28-29,32,35H,13-14H2,1-2H3,(H,33,34)/t21-,22-,25-,27+/m1/s1
SMILES COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(OC(=O)C=Cc3ccc(O)c(OC)c3)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
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