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CHEBI:186735 - 7,2'-Dihydroxy-5,8-dimethyl-4',5'-methylenedioxyflavan

ChEBI IDCHEBI:186735
ChEBI Name7,2'-Dihydroxy-5,8-dimethyl-4',5'-methylenedioxyflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O5
Net Charge0
Average Mass314.337
Monoisotopic Mass314.11542
SMILES[H][C@@]1(c2cc3c(cc2O)OCO3)CCc2c(C)cc(O)c(C)c2O1
InChIInChI=1S/C18H18O5/c1-9-5-13(19)10(2)18-11(9)3-4-15(23-18)12-6-16-17(7-14(12)20)22-8-21-16/h5-7,15,19-20H,3-4,8H2,1-2H3/t15-/m0/s1
InChIKeyQWXFFEQWLWBPNQ-HNNXBMFYSA-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-5,8-dimethyl-4',5'-methylenedioxyflavan (CHEBI:186735) is a hydroxyflavonoid (CHEBI:71968)
IUPAC Name 
(2S)-2-(6-hydroxy-1,3-benzodioxol-5-yl)-5,8-dimethyl-3,4-dihydro-2H-chromen-7-ol
Manual XrefsDatabases
LMPK12020251LIPID MAPS
24842647ChemSpider