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

Default Structure
ChEBI IDCHEBI:175082
ChEBI Name3-p-Coumaroyl-1,5-quinolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7
Net Charge0
Average Mass320.297
Monoisotopic Mass320.08960
SMILES[H][C@@]12C[C@@](O)(C[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@H]1O)C(=O)O2
InChIInChI=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
InChIKeyUDRNBJSMWYQCNZ-OTCYKTEZSA-N
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
30776765ChemSpider
HMDB0029292HMDB