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CHEBI:186404 - 6-Butyryl-5-hydroxy-4-phenylseselin

ChEBI IDCHEBI:186404
ChEBI Name6-Butyryl-5-hydroxy-4-phenylseselin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O5
Net Charge0
Average Mass390.435
Monoisotopic Mass390.14672
SMILESCCCC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C=CC(C)(C)O2
InChIInChI=1S/C24H22O5/c1-4-8-17(25)20-21(27)19-16(14-9-6-5-7-10-14)13-18(26)28-22(19)15-11-12-24(2,3)29-23(15)20/h5-7,9-13,27H,4,8H2,1-3H3
InChIKeyHTYHJXFUSAYYEQ-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)
6-Butyryl-5-hydroxy-4-phenylseselin (CHEBI:186404) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
6-butanoyl-5-hydroxy-8,8-dimethyl-4-phenylpyrano[2,3-h]chromen-2-one
Manual XrefsDatabases
LMPK12100022LIPID MAPS
23333298ChemSpider