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CHEBI:174377 - Demethylvestitol

ChEBI IDCHEBI:174377
ChEBI NameDemethylvestitol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O4
Net Charge0
Average Mass258.273
Monoisotopic Mass258.08921
SMILESOc1ccc(C2COc3cc(O)ccc3C2)c(O)c1
InChIInChI=1S/C15H14O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-4,6-7,10,16-18H,5,8H2
InChIKeyCJZBXHPHEBCWLV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Demethylvestitol (CHEBI:174377) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
Manual XrefsDatabases
HMDB0033986HMDB
509323ChemSpider
LMPK12080027LIPID MAPS
Registry NumbersSources
CAS:65332-45-8ChemIDplus