input word = C00058983

Metabolite InformationStructural formula
Name 3-O-Caffeoyl-5-feruoylquinic acid
Formula C26H26O12
Mw 530.1424263
CAS RN 1039007-73-2
C_ID C00058983
InChIKey HFPFOWZKUHZLHL-LUHVKKMXSA-N
InChICode InChI=1S/C26H26O12/c1-36-19-11-15(3-7-17(19)28)5-9-23(31)38-21-13-26(35,25(33)34)12-20(24(21)32)37-22(30)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-29,32,35H,12-13H2,1H3,(H,33,34)/t20-,21-,24-,26+/m1/s1
SMILES COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(OC(=O)C=Cc3ccc(O)c(O)c3)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
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