EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197232 - 3',4'-Dihydroxy-5,7-dimethoxyflavan

ChEBI IDCHEBI:197232
ChEBI Name3',4'-Dihydroxy-5,7-dimethoxyflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O5
Net Charge0
Average Mass302.326
Monoisotopic Mass302.11542
SMILESCOc1cc(OC)c2c(c1)OC(c1ccc(O)c(O)c1)CC2
InChIInChI=1S/C17H18O5/c1-20-11-8-16(21-2)12-4-6-15(22-17(12)9-11)10-3-5-13(18)14(19)7-10/h3,5,7-9,15,18-19H,4,6H2,1-2H3
InChIKeyOQHDHVCMAOKOKY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
3',4'-Dihydroxy-5,7-dimethoxyflavan (CHEBI:197232) is a ether (CHEBI:25698)
3',4'-Dihydroxy-5,7-dimethoxyflavan (CHEBI:197232) is a flavonoids (CHEBI:72544)
IUPAC Name 
4-(5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol
Manual XrefsDatabases
24842668ChemSpider
LMPK12020278LIPID MAPS