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CHEBI:186260 - Unanisoflavan

ChEBI IDCHEBI:186260
ChEBI NameUnanisoflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O5
Net Charge0
Average Mass370.445
Monoisotopic Mass370.17802
SMILESC=CC(C)(C)c1cc(C2COc3cc(O)ccc3C2)c(OC)c(O)c1OC
InChIInChI=1S/C22H26O5/c1-6-22(2,3)17-11-16(20(25-4)19(24)21(17)26-5)14-9-13-7-8-15(23)10-18(13)27-12-14/h6-8,10-11,14,23-24H,1,9,12H2,2-5H3
InChIKeyVNLILVLACYXYJO-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)
Unanisoflavan (CHEBI:186260) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
3-[3-hydroxy-2,4-dimethoxy-5-(2-methylbut-3-en-2-yl)phenyl]-3,4-dihydro-2H-chromen-7-ol
Manual XrefsDatabases
LMPK12080009LIPID MAPS
24843074ChemSpider