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CHEBI:192066 - 4'-O-Methylequol

ChEBI IDCHEBI:192066
ChEBI Name4'-O-Methylequol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O3
Net Charge0
Average Mass256.301
Monoisotopic Mass256.10994
SMILESCOc1ccc([C@H]2COc3cc(O)ccc3C2)cc1
InChIInChI=1S/C16H16O3/c1-18-15-6-3-11(4-7-15)13-8-12-2-5-14(17)9-16(12)19-10-13/h2-7,9,13,17H,8,10H2,1H3/t13-/m1/s1
InChIKeyFPRFNXQLWQOWED-CYBMUJFWSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
4'-O-Methylequol (CHEBI:192066) is a ether (CHEBI:25698)
4'-O-Methylequol (CHEBI:192066) is a flavonoids (CHEBI:72544)
IUPAC Name 
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Manual XrefsDatabases
HMDB0041678HMDB
4956545ChemSpider
Registry NumbersSources
CAS:61514-94-1ChemIDplus