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CHEBI:168558 - 7-Hydroxy-5-methoxy-6-methylflavan

ChEBI IDCHEBI:168558
ChEBI Name7-Hydroxy-5-methoxy-6-methylflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O3
Net Charge0
Average Mass270.328
Monoisotopic Mass270.12559
SMILESCOc1c(C)c(O)cc2c1CC[C@@H](c1ccccc1)O2
InChIInChI=1S/C17H18O3/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12/h3-7,10,15,18H,8-9H2,1-2H3/t15-/m0/s1
InChIKeyPZRKAAPKQGONFG-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
7-Hydroxy-5-methoxy-6-methylflavan (CHEBI:168558) is a ether (CHEBI:25698)
7-Hydroxy-5-methoxy-6-methylflavan (CHEBI:168558) is a flavonoids (CHEBI:72544)
IUPAC Name 
(2S)-5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
Manual XrefsDatabases
8508796ChemSpider
LMPK12020257LIPID MAPS