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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan

ChEBI ID	CHEBI:187161

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H18O5

Net Charge

Average Mass

314.337

Monoisotopic Mass

314.11542

InChI

InChI=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

InChIKey

BXJVXSUYCLJDOQ-AWEZNQCLSA-N

SMILES

O1[C@@](CCC2=C1C(=C(O)C(=C2)C)C)(C3=CC=4OCOC4C=C3O)[H]

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	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