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CHEBI:174585 - 3'-O-Methylequol

ChEBI IDCHEBI:174585
ChEBI Name3'-O-Methylequol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O4
Net Charge0
Average Mass272.300
Monoisotopic Mass272.10486
SMILESCOc1cc([C@H]2COc3cc(O)ccc3C2)ccc1O
InChIInChI=1S/C16H16O4/c1-19-16-7-10(3-5-14(16)18)12-6-11-2-4-13(17)8-15(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3/t12-/m1/s1
InChIKeyBMADVHDZKAZTNF-GFCCVEGCSA-N
ChEBI Ontology
Outgoing Relation(s)
3'-O-Methylequol (CHEBI:174585) is a ether (CHEBI:25698)
3'-O-Methylequol (CHEBI:174585) is a flavonoids (CHEBI:72544)
IUPAC Name 
(3S)-3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Manual XrefsDatabases
30777592ChemSpider
HMDB0041660HMDB