input word = C00063223

Metabolite InformationStructural formula
Name 1-Caffeoyl-5-feruoylquinic acid
Formula C26H26O12
Mw 530.1424263
CAS RN 865095-57-4
C_ID C00063223
InChIKey DJXURFUTIYZESV-GLKWXDDPSA-N
InChICode InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)4-8-22(31)37-21-13-26(25(34)35,12-19(30)24(21)33)38-23(32)9-5-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,33H,12-13H2,1H3,(H,34,35)/t19-,21-,24+,26-/m1/s1
SMILES COc1cc(C=CC(=O)OC2CC(OC(=O)C=Cc3ccc(O)c(O)c3)(C(=O)O)CC(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
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OrganismArtemisia annua
Referencehttps://doi.org/10.1016/j.jpba.2008.02.013