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CHEBI:175470 - 3-Feruloyl-1,5-quinolactone

ChEBI IDCHEBI:175470
ChEBI Name3-Feruloyl-1,5-quinolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O8
Net Charge0
Average Mass350.323
Monoisotopic Mass350.10017
SMILES[H][C@@]12C[C@@](O)(C[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H]1O)C(=O)O2
InChIInChI=1S/C17H18O8/c1-23-11-6-9(2-4-10(11)18)3-5-14(19)24-12-7-17(22)8-13(15(12)20)25-16(17)21/h2-6,12-13,15,18,20,22H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1
InChIKeyKFVJGWDDYWUTHM-AWOKGZDASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-Feruloyl-1,5-quinolactone (CHEBI:175470) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
[(1R,3R,4R,5R)-1,4-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
30776759ChemSpider
HMDB0029289HMDB