input word = C00063281

Metabolite InformationStructural formula
Name 4-Feruloyl-5-caffeoylquinic acid
Formula C26H26O12
Mw 530.1424263
CAS RN 882535-14-0
C_ID C00063281
InChIKey RKAYMOSEFYVEJU-GLKWXDDPSA-N
InChICode InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-24-19(30)12-26(35,25(33)34)13-21(24)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/t19-,21-,24+,26-/m1/s1
SMILES COc1cc(C=CC(=O)OC2C(O)CC(O)(C(=O)O)CC2OC(=O)C=Cc2ccc(O)c(O)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona muricata Ref.
PlantaeAsteraceaeArtemisia annua Ref.
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OrganismArtemisia annua
Referencehttps://doi.org/10.1016/j.jpba.2008.02.013