input word = C00063245

Metabolite InformationStructural formula
Name 5-O-Coumaroylquinic acid
Formula C16H18O8
Mw 338.10016755
CAS RN 87099-71-6
C_ID C00063245
InChIKey BMRSEYFENKXDIS-QHAYPTCMSA-N
InChICode InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1
SMILES O=C(C=Cc1ccc(O)cc1)OC1CC(O)(C(=O)O)CC(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Caffea sp. Ref.
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