EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193219 - 5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan

ChEBI IDCHEBI:193219
ChEBI Name5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O6
Net Charge0
Average Mass344.363
Monoisotopic Mass344.12599
SMILESCOc1c(C)c(O)c2c(c1C)OC(c1cc3c(cc1O)OCO3)CC2
InChIInChI=1S/C19H20O6/c1-9-17(21)11-4-5-14(25-19(11)10(2)18(9)22-3)12-6-15-16(7-13(12)20)24-8-23-15/h6-7,14,20-21H,4-5,8H2,1-3H3
InChIKeyOOZKPSALBMDMMI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan (CHEBI:193219) is a ether (CHEBI:25698)
5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan (CHEBI:193219) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(6-hydroxy-1,3-benzodioxol-5-yl)-7-methoxy-6,8-dimethyl-3,4-dihydro-2H-chromen-5-ol
Manual XrefsDatabases
24842662ChemSpider
LMPK12020269LIPID MAPS