6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone (CHEBI:185879)

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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	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone

ChEBI ID	CHEBI:185879

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H24O6

Net Charge

Average Mass

396.439

Monoisotopic Mass

396.15729

InChI

InChI=1S/C23H24O6/c1-23(2)11-10-15-19(27-4)13-17(25)21(22(15)29-23)16(24)8-6-14-7-9-18(26-3)20(12-14)28-5/h6-13,25H,1-5H3/b8-6+

InChIKey

MYVVQLOQHTYUSA-SOFGYWHQSA-N

SMILES

O1C(C=CC=2C1=C(C(O)=CC2OC)C(=O)/C=C/C3=CC(OC)=C(OC)C=C3)(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	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone (CHEBI:185879) is a chalcones (CHEBI:23086)

IUPAC Name

(E)-3-(3,4-dimethoxyphenyl)-1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)prop-2-en-1-one