2'-Hydroxy-2,3,5'-trimethoxychalcone (CHEBI:229996)

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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	2'-Hydroxy-2,3,5'-trimethoxychalcone

ChEBI ID	CHEBI:229996

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H18O5

Net Charge

Average Mass

314.337

Monoisotopic Mass

314.11542

InChI

InChI=1S/C18H18O5/c1-21-13-8-10-16(20)14(11-13)15(19)9-7-12-5-4-6-17(22-2)18(12)23-3/h4-11,20H,1-3H3/b9-7+

InChIKey

NRAAGHLLAJEOAZ-VQHVLOKHSA-N

SMILES

O(C1=C(/C=C/C(=O)C=2C=C(OC)C=CC2O)C=CC=C1OC)C

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

ChEBI Ontology
Outgoing	2'-Hydroxy-2,3,5'-trimethoxychalcone (CHEBI:229996) is a chalcones (CHEBI:23086)

IUPAC Name

(E)-3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one