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CHEBI:175812 - 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one

ChEBI IDCHEBI:175812
ChEBI Name8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILESCCCC(=O)c1c2c(c3oc(=O)cc(CCC)c3c1O)CC(C(C)(C)O)O2
InChIInChI=1S/C21H26O6/c1-5-7-11-9-15(23)27-19-12-10-14(21(3,4)25)26-20(12)17(13(22)8-6-2)18(24)16(11)19/h9,14,24-25H,5-8,10H2,1-4H3
InChIKeyAHRWRZGWPYCGMI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one (CHEBI:175812) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-8,9-dihydrouro[2,3-h]chromen-2-one
Manual XrefsDatabases
23333299ChemSpider
HMDB0030650HMDB