input word = C00061513

Metabolite InformationStructural formula
Name 4,5-Diferuoylquinic acid
Formula C27H28O12
Mw 544.15807636
CAS RN 342811-69-2
C_ID C00061513
InChIKey WCIDSNIXNCYSPH-PPFOHDNKSA-N
InChICode InChI=1S/C27H28O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(31)38-22-14-27(35,26(33)34)13-19(30)25(22)39-24(32)10-6-16-4-8-18(29)21(12-16)37-2/h3-12,19,22,25,28-30,35H,13-14H2,1-2H3,(H,33,34)/t19-,22-,25+,27-/m1/s1
SMILES COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2OC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
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