input word = C00063322

Metabolite InformationStructural formula
Name 3-p-(E)-Coumaroyl-5-(E)-caffeoylquinic acid
Formula C25H24O11
Mw 500.13186161
CAS RN 900249-98-1
C_ID C00063322
InChIKey LFZAQSKKPHEVOT-UMHPNHICSA-N
InChICode InChI=1S/C25H24O11/c26-16-6-1-14(2-7-16)4-9-21(29)35-19-12-25(34,24(32)33)13-20(23(19)31)36-22(30)10-5-15-3-8-17(27)18(28)11-15/h1-11,19-20,23,26-28,31,34H,12-13H2,(H,32,33)/b9-4+,10-5+/t19-,20-,23+,25-/m1/s1
SMILES O=C(C=Cc1ccc(O)cc1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia annua Ref.
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