Flemiwallichin D (CHEBI:186460)

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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	Flemiwallichin D

ChEBI ID	CHEBI:186460

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C25H26O5

Net Charge

Average Mass

406.478

Monoisotopic Mass

406.17802

InChI

InChI=1S/C25H26O5/c1-16(2)5-4-13-25(3)14-12-20-23(30-25)11-8-19(24(20)29)22(28)9-6-17-15-18(26)7-10-21(17)27/h5-12,14-15,26-27,29H,4,13H2,1-3H3/b9-6+

InChIKey

CPEVXYSYBVNBGN-RMKNXTFCSA-N

SMILES

O1C(CCC=C(C)C)(C=CC2=C1C=CC(=C2O)C(=O)/C=C/C3=C(O)C=CC(O)=C3)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	Flemiwallichin D (CHEBI:186460) is a chalcones (CHEBI:23086)

IUPAC Name

(E)-3-(2,5-dihydroxyphenyl)-1-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]prop-2-en-1-one