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CHEBI:2244 - 7,3'-dihydroxy-4'-methoxy-8-methylflavan

ChEBI IDCHEBI:2244
ChEBI Name7,3'-dihydroxy-4'-methoxy-8-methylflavan
Stars
DefinitionA hydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 7 and 3', a methoxy group at position 4' and a methyl group at position 8.
Last Modified2 June 2015
DownloadsMolfile
FormulaC17H18O4
Net Charge0
Average Mass286.327
Monoisotopic Mass286.12051
SMILESCOc1ccc([C@@H]2CCc3ccc(O)c(C)c3O2)cc1O
InChIInChI=1S/C17H18O4/c1-10-13(18)6-3-11-4-7-15(21-17(10)11)12-5-8-16(20-2)14(19)9-12/h3,5-6,8-9,15,18-19H,4,7H2,1-2H3/t15-/m0/s1
InChIKeyXVHKLOFEZNFSRF-HNNXBMFYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
7,3'-dihydroxy-4'-methoxy-8-methylflavan (CHEBI:2244) has parent hydride (2S)-flavan (CHEBI:36103)
7,3'-dihydroxy-4'-methoxy-8-methylflavan (CHEBI:2244) has role plant metabolite (CHEBI:76924)
7,3'-dihydroxy-4'-methoxy-8-methylflavan (CHEBI:2244) is a hydroxyflavan (CHEBI:72010)
7,3'-dihydroxy-4'-methoxy-8-methylflavan (CHEBI:2244) is a methoxyflavan (CHEBI:72585)
IUPAC Name 
(2S)-2-(3-hydroxy-4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-1-benzopyran-7-ol
Manual XrefsDatabases
C09646KEGG COMPOUND
C00000952KNApSAcK
LMPK12020239LIPID MAPS
Registry NumbersSources
Reaxys:5575798Reaxys
CAS:87733-81-1KEGG COMPOUND