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CHEBI:187161 - 7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan

ChEBI IDCHEBI:187161
ChEBI Name7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O5
Net Charge0
Average Mass314.337
Monoisotopic Mass314.11542
SMILES[H][C@@]1(c2cc3c(cc2O)OCO3)CCc2cc(C)c(O)c(C)c2O1
InChIInChI=1S/C18H18O5/c1-9-5-11-3-4-14(23-18(11)10(2)17(9)20)12-6-15-16(7-13(12)19)22-8-21-15/h5-7,14,19-20H,3-4,8H2,1-2H3/t14-/m0/s1
InChIKeyBXJVXSUYCLJDOQ-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan (CHEBI:187161) is a hydroxyflavonoid (CHEBI:71968)
IUPAC Name 
(2S)-2-(6-hydroxy-1,3-benzodioxol-5-yl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-ol
Manual XrefsDatabases
LMPK12020250LIPID MAPS
24842646ChemSpider