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CHEBI:187580 - 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one

ChEBI IDCHEBI:187580
ChEBI Name1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O6
Net Charge0
Average Mass408.450
Monoisotopic Mass408.15729
SMILESCC(C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)CC(C(C)(C)O)O2
InChIInChI=1S/C24H24O6/c1-12(2)20(26)19-21(27)18-14(13-8-6-5-7-9-13)11-17(25)30-22(18)15-10-16(24(3,4)28)29-23(15)19/h5-9,11-12,16,27-28H,10H2,1-4H3
InChIKeyKYQBNYMPQRSMLV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one (CHEBI:187580) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(2-methylpropanoyl)-4-phenyl-8,9-dihydrouro[2,3-h]chromen-2-one
Manual XrefsDatabases
HMDB0037241HMDB
24843123ChemSpider
LMPK12100015LIPID MAPS