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CHEBI:186507 - (2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan

ChEBI IDCHEBI:186507
ChEBI Name(2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O5
Net Charge0
Average Mass316.353
Monoisotopic Mass316.13107
SMILESCOc1cc(OC)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)CC2
InChIInChI=1S/C18H20O5/c1-20-12-9-16(21-2)13-5-7-15(23-17(13)10-12)11-4-6-14(19)18(8-11)22-3/h4,6,8-10,15,19H,5,7H2,1-3H3/t15-/m0/s1
InChIKeyXFWQJKIQUYCNBC-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan (CHEBI:186507) is a ether (CHEBI:25698)
(2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan (CHEBI:186507) is a flavonoids (CHEBI:72544)
IUPAC Name 
4-[(2S)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
Manual XrefsDatabases
LMPK12020279LIPID MAPS
8671009ChemSpider