EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193442 - 2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan

ChEBI IDCHEBI:193442
ChEBI Name2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O5
Net Charge0
Average Mass300.310
Monoisotopic Mass300.09977
SMILES[H][C@@]1(c2cc3c(cc2O)OCO3)CCc2ccc(OC)cc2O1
InChIInChI=1S/C17H16O5/c1-19-11-4-2-10-3-5-14(22-15(10)6-11)12-7-16-17(8-13(12)18)21-9-20-16/h2,4,6-8,14,18H,3,5,9H2,1H3/t14-/m0/s1
InChIKeySEXFFYIXMCVNNG-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan (CHEBI:193442) is a ether (CHEBI:25698)
2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan (CHEBI:193442) is a flavonoids (CHEBI:72544)
IUPAC Name 
6-[(2S)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]-1,3-benzodioxol-5-ol
Manual XrefsDatabases
LMPK12020252LIPID MAPS
24842648ChemSpider