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CHEBI:186961 - 2'',3''-Dihydroxylupinifolin

ChEBI IDCHEBI:186961
ChEBI Name2'',3''-Dihydroxylupinifolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O7
Net Charge0
Average Mass440.492
Monoisotopic Mass440.18350
SMILESCC1(C)C=Cc2c(O)c3c(c(CC(O)C(C)(C)O)c2O1)O[C@H](c1ccc(O)cc1)CC3=O
InChIInChI=1S/C25H28O7/c1-24(2)10-9-15-21(29)20-17(27)12-18(13-5-7-14(26)8-6-13)31-23(20)16(22(15)32-24)11-19(28)25(3,4)30/h5-10,18-19,26,28-30H,11-12H2,1-4H3/t18-,19?/m0/s1
InChIKeyPSOLWKCBNWNCAJ-OYKVQYDMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2'',3''-Dihydroxylupinifolin (CHEBI:186961) is a flavanones (CHEBI:28863)
IUPAC Name 
(8S)-10-(2,3-dihydroxy-3-methylbutyl)-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
Manual XrefsDatabases
9223617ChemSpider
LMPK12140324LIPID MAPS