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CHEBI:180154 - 7,4'-Dihydroxy-3'-methoxyflavan

ChEBI IDCHEBI:180154
ChEBI Name7,4'-Dihydroxy-3'-methoxyflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O4
Net Charge0
Average Mass272.300
Monoisotopic Mass272.10486
SMILESCOc1cc([C@@H]2CCc3ccc(O)cc3O2)ccc1O
InChIInChI=1S/C16H16O4/c1-19-16-8-11(3-6-13(16)18)14-7-4-10-2-5-12(17)9-15(10)20-14/h2-3,5-6,8-9,14,17-18H,4,7H2,1H3/t14-/m0/s1
InChIKeyGJBQOEWAEONRFS-AWEZNQCLSA-N
ChEBI Ontology
Outgoing Relation(s)
7,4'-Dihydroxy-3'-methoxyflavan (CHEBI:180154) is a ether (CHEBI:25698)
7,4'-Dihydroxy-3'-methoxyflavan (CHEBI:180154) is a flavonoids (CHEBI:72544)
IUPAC Name 
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Manual XrefsDatabases
24842643ChemSpider
LMPK12020245LIPID MAPS