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CHEBI:185883 - 6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin

ChEBI IDCHEBI:185883
ChEBI Name6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O5
Net Charge0
Average Mass392.451
Monoisotopic Mass392.16237
SMILESCCCC(=O)c1c(O)c(/C=C/C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O
InChIInChI=1S/C24H24O5/c1-4-8-18(25)21-22(27)16(12-11-14(2)3)24-20(23(21)28)17(13-19(26)29-24)15-9-6-5-7-10-15/h5-7,9-14,27-28H,4,8H2,1-3H3/b12-11+
InChIKeyKWRJWFYBGIXCHJ-VAWYXSNFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin (CHEBI:185883) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
6-butanoyl-5,7-dihydroxy-8-[(E)-3-methylbut-1-enyl]-4-phenylchromen-2-one
Manual XrefsDatabases
LMPK12100017LIPID MAPS
24843124ChemSpider