Aliarin (CHEBI:185664)

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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	Aliarin

ChEBI ID	CHEBI:185664

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H24O8

Net Charge

Average Mass

416.426

Monoisotopic Mass

416.14712

InChI

InChI=1S/C22H24O8/c1-11(10-23)4-5-12-8-13(6-7-14(12)24)20-22(29-3)19(27)17-16(30-20)9-15(25)21(28-2)18(17)26/h6-9,11,23-26H,4-5,10H2,1-3H3

InChIKey

VLVYYPSDJMDDBM-UHFFFAOYSA-N

SMILES

O1C(C2=CC(CCC(CO)C)=C(O)C=C2)=C(OC)C(=O)C3=C1C=C(O)C(OC)=C3O

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	Aliarin (CHEBI:185664) is a flavones (CHEBI:24043)

IUPAC Name

5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-3,6-dimethoxychromen-4-one