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CHEBI:231220 - (R)-3,4-Dihydro-8-hydroxy-3-tridecyl-1H-2-benzopyran-1-one

ChEBI IDCHEBI:231220
ChEBI Name(R)-3,4-Dihydro-8-hydroxy-3-tridecyl-1H-2-benzopyran-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O3
Net Charge0
Average Mass346.511
Monoisotopic Mass346.25079
SMILESCCCCCCCCCCCCCC1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-17-18-14-13-16-20(23)21(18)22(24)25-19/h13-14,16,19,23H,2-12,15,17H2,1H3
InChIKeyGEFWCROCDVGECH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(R)-3,4-Dihydro-8-hydroxy-3-tridecyl-1H-2-benzopyran-1-one (CHEBI:231220) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
8-hydroxy-3-tridecyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
28591428ChemSpider
HMDB0041302HMDB