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CHEBI:186361 - 5-hydroxy-8-(hydroxymethyl)-8-methyl-6-(2-methylpropanoyl)-4-phenyl-2H,8H-pyrano[2,3-f]chromen-2-one

ChEBI IDCHEBI:186361
ChEBI Name5-hydroxy-8-(hydroxymethyl)-8-methyl-6-(2-methylpropanoyl)-4-phenyl-2H,8H-pyrano[2,3-f]chromen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O6
Net Charge0
Average Mass406.434
Monoisotopic Mass406.14164
SMILESCC(C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C=CC(C)(CO)O2
InChIInChI=1S/C24H22O6/c1-13(2)20(27)19-21(28)18-16(14-7-5-4-6-8-14)11-17(26)29-22(18)15-9-10-24(3,12-25)30-23(15)19/h4-11,13,25,28H,12H2,1-3H3
InChIKeySOTVFRMCFNVQAO-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)
5-hydroxy-8-(hydroxymethyl)-8-methyl-6-(2-methylpropanoyl)-4-phenyl-2H,8H-pyrano[2,3-f]chromen-2-one (CHEBI:186361) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
5-hydroxy-8-(hydroxymethyl)-8-methyl-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-h]chromen-2-one
Manual XrefsDatabases
HMDB0126081HMDB
74851860ChemSpider