CHEBI:175265 - 3-Caffeoyl-1,5-quinolactone

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ChEBI Name 3-Caffeoyl-1,5-quinolactone
ChEBI ID CHEBI:175265
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O8
Net Charge 0
Average Mass 336.296
Monoisotopic Mass 336.08452
InChI InChI=1S/C16H16O8/c17-9-3-1-8(5-10(9)18)2-4-13(19)23-11-6-16(22)7-12(14(11)20)24-15(16)21/h1-5,11-12,14,17-18,20,22H,6-7H2/b4-2+/t11-,12-,14-,16+/m1/s1
InChIKey FXXATDNXMJKMSF-JUHZACGLSA-N
SMILES O1[C@@]2(C[C@@](O)(C[C@@H](OC(=O)/C=C/C3=CC(O)=C(O)C=C3)[C@H]2O)C1=O)[H]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-Caffeoyl-1,5-quinolactone (CHEBI:175265) 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-(3,4-dihydroxyphenyl)prop-2-enoate
Manual Xrefs Databases
30776761 ChemSpider
HMDB0029287 HMDB
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