input word = C00059311

Metabolite InformationStructural formula
Name 4-Feruloylquinic acid lactone
Formula C17H18O8
Mw 350.10016755
CAS RN 1161849-63-3
C_ID C00059311
InChIKey OIGFDFULTVHQNZ-KJJWLSQTSA-N
InChICode InChI=1S/C17H18O8/c1-23-12-6-9(2-4-10(12)18)3-5-14(20)25-15-11(19)7-17(22)8-13(15)24-16(17)21/h2-6,11,13,15,18-19,22H,7-8H2,1H3/b5-3+/t11-,13-,15-,17+/m1/s1
SMILES COc1cc(C=CC(=O)OC2C(O)CC3(O)CC2OC3=O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Caffea sp. Ref.
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