1'',2''-Dihydro-O-methylcyclopomiferin (CHEBI:185600)

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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	1'',2''-Dihydro-O-methylcyclopomiferin

ChEBI ID	CHEBI:185600

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C26H28O6

Net Charge

Average Mass

436.504

Monoisotopic Mass

436.18859

InChI

InChI=1S/C26H28O6/c1-25(2)10-8-15-22(31-25)16-9-11-26(3,4)32-24(16)20-21(28)17(13-30-23(15)20)14-6-7-18(27)19(12-14)29-5/h6-7,12-13,27H,8-11H2,1-5H3

InChIKey

RMFBGIVQEFNLAE-UHFFFAOYSA-N

SMILES

O1C(CCC=2C1=C3CCC(OC3=C4C2OC=C(C4=O)C5=CC(OC)=C(O)C=C5)(C)C)(C)C

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	1'',2''-Dihydro-O-methylcyclopomiferin (CHEBI:185600) is a isoflavanones (CHEBI:38741)

IUPAC Name

5-(4-hydroxy-3-methoxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,4,7,13-tetraen-6-one