2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone (CHEBI:185124)

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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	2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone

ChEBI ID	CHEBI:185124

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H24O5

Net Charge

Average Mass

356.418

Monoisotopic Mass

356.16237

InChI

InChI=1S/C21H24O5/c1-12-18(24)14-11-16(23)21(2,3)26-20(14)17(19(12)25)15(22)10-9-13-7-5-4-6-8-13/h4-8,16,23-25H,9-11H2,1-3H3/t16-/m0/s1

InChIKey

BAHXHQFEFUBNER-INIZCTEOSA-N

SMILES

O1C([C@@H](O)CC2=C1C(=C(O)C(=C2O)C)C(=O)CCC3=CC=CC=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	2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone (CHEBI:185124) is a chalcones (CHEBI:23086)

IUPAC Name

3-phenyl-1-[(3S)-3,5,7-trihydroxy-2,2,6-trimethyl-3,4-dihydrochromen-8-yl]propan-1-one