Spinochalcone C (CHEBI:186218)

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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	Spinochalcone C

ChEBI ID	CHEBI:186218

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C25H26O3

Net Charge

Average Mass

374.480

Monoisotopic Mass

374.18819

InChI

InChI=1S/C25H26O3/c1-17(2)10-12-20-23(27)21(16-19-14-15-25(3,4)28-24(19)20)22(26)13-11-18-8-6-5-7-9-18/h5-11,13-16,27H,12H2,1-4H3/b13-11+

InChIKey

UKLAAWWFUMSUTQ-ACCUITESSA-N

SMILES

O1C(C=CC=2C1=C(CC=C(C)C)C(O)=C(C2)C(=O)/C=C/C3=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	Spinochalcone C (CHEBI:186218) is a chalcones (CHEBI:23086)

IUPAC Name

(E)-1-[7-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-3-phenylprop-2-en-1-one