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CHEBI:6543 - lotisoflavan

ChEBI IDCHEBI:6543
ChEBI Namelotisoflavan
Stars
DefinitionA hydroxyisoflavan that is isoflavan substituted by hydroxy groups at positions 2' and 4' and methoxy groups at positions 5 and 7 respectively.
Last Modified9 June 2015
DownloadsMolfile
FormulaC17H18O5
Net Charge0
Average Mass302.326
Monoisotopic Mass302.11542
SMILESCOc1cc(OC)c2c(c1)OCC(c1ccc(O)cc1O)C2
InChIInChI=1S/C17H18O5/c1-20-12-7-16(21-2)14-5-10(9-22-17(14)8-12)13-4-3-11(18)6-15(13)19/h3-4,6-8,10,18-19H,5,9H2,1-2H3
InChIKeyITRZCICEVGLQFO-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
lotisoflavan (CHEBI:6543) has functional parent isoflavan (CHEBI:38740)
lotisoflavan (CHEBI:6543) has role plant metabolite (CHEBI:76924)
lotisoflavan (CHEBI:6543) is a hydroxyisoflavans (CHEBI:76250)
lotisoflavan (CHEBI:6543) is a methoxyisoflavan (CHEBI:77002)
IUPAC Name 
4-(5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-yl)benzene-1,3-diol
Synonym  Source
2',4'-dihydroxy-5,7-dimethoxyisoflavanKNApSAcK
Manual XrefsDatabases
C10495KEGG COMPOUND
C00002544KNApSAcK
LMPK12080048LIPID MAPS
Registry NumbersSources
Reaxys:6982121Reaxys
CAS:77370-02-6KEGG COMPOUND