aliarin 4'-methyl ether (CHEBI:230615)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 4'-methyl ether

ChEBI ID	CHEBI:230615

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H26O8

Net Charge

Average Mass

430.453

Monoisotopic Mass

430.16277

InChI

InChI=1S/C23H26O8/c1-23(2,27)9-8-12-10-13(6-7-15(12)28-3)20-22(30-5)19(26)17-16(31-20)11-14(24)21(29-4)18(17)25/h6-7,10-11,24-25,27H,8-9H2,1-5H3

InChIKey

DKLGTRLGRWKLHB-UHFFFAOYSA-N

SMILES

OC(CCC=1C=C(C=2OC3=C(C(=O)C2OC)C(O)=C(OC)C(O)=C3)C=CC1OC)(C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	aliarin 4'-methyl ether (CHEBI:230615) is a organic molecular entity (CHEBI:50860)

IUPAC Name

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