3-p-Coumaroyl-1,5-quinolactone (CHEBI:175082)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-p-Coumaroyl-1,5-quinolactone

ChEBI ID	CHEBI:175082

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O7

Net Charge

Average Mass

320.297

Monoisotopic Mass

320.08960

InChI

InChI=1S/C16H16O7/c17-10-4-1-9(2-5-10)3-6-13(18)22-11-7-16(21)8-12(14(11)19)23-15(16)20/h1-6,11-12,14,17,19,21H,7-8H2/b6-3+/t11-,12-,14-,16+/m1/s1

InChIKey

UDRNBJSMWYQCNZ-OTCYKTEZSA-N

SMILES

O1[C@@]2(C[C@@](O)(C[C@@H](OC(=O)/C=C/C3=CC=C(O)C=C3)[C@H]2O)C1=O)[H]

ChEBI Ontology
Outgoing	3-p-Coumaroyl-1,5-quinolactone (CHEBI:175082) is a cinnamate ester (CHEBI:36087)

IUPAC Name

[(1R,3R,4R,5R)-1,4-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate