aurentiacin (CHEBI:229795)

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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	aurentiacin

ChEBI ID	CHEBI:229795

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H18O4

Net Charge

Average Mass

298.338

Monoisotopic Mass

298.12051

InChI

InChI=1S/C18H18O4/c1-12-15(21-2)11-16(22-3)17(18(12)20)14(19)10-9-13-7-5-4-6-8-13/h4-11,20H,1-3H3/b10-9+

InChIKey

KHJPPYCLBALJRR-MDZDMXLPSA-N

SMILES

O(C1=C(C(O)=C(C(OC)=C1)C)C(=O)/C=C/C2=CC=CC=C2)C

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

ChEBI Ontology
Outgoing	aurentiacin (CHEBI:229795) is a chalcones (CHEBI:23086)

IUPAC Name

(E)-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylprop-2-en-1-one