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CHEBI:186172 - Isobavachin

ChEBI IDCHEBI:186172
ChEBI NameIsobavachin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O4
Net Charge0
Average Mass324.376
Monoisotopic Mass324.13616
SMILESCC(C)=CCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O
InChIInChI=1S/C20H20O4/c1-12(2)3-8-15-17(22)10-9-16-18(23)11-19(24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-10,19,21-22H,8,11H2,1-2H3/t19-/m0/s1
InChIKeyKYFBXCHUXFKMGQ-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Isobavachin (CHEBI:186172) is a flavanones (CHEBI:28863)
IUPAC Name 
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
168078ChemSpider
Registry NumbersSources
CAS:31524-62-6ChemIDplus