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CHEBI:181441 - 3-(4-Hydroxyphenyl)chroman-7-ol

ChEBI IDCHEBI:181441
ChEBI Name3-(4-Hydroxyphenyl)chroman-7-ol
Stars
Last Modified13 March 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O3
Net Charge0
Average Mass242.274
Monoisotopic Mass242.09429
SMILESOc1ccc(C2COc3cc(O)ccc3C2)cc1
InChIInChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2
InChIKeyADFCQWZHKCXPAJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3487) Strain: C57BL [EFO:0005181]
ChEBI Ontology
Outgoing Relation(s)
3-(4-Hydroxyphenyl)chroman-7-ol (CHEBI:181441) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Synonym  Source
(+/-)-equolChEBI
Manual XrefsDatabases
HMDB0130495HMDB
LSM-45303LINCS
339332ChemSpider
LMPK12080003LIPID MAPS
Registry NumbersSources
CAS:94105-90-5ChemIDplus