2'-hydroxy-2,5,6'-trimethoxychalcone (CHEBI:183991)

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CHEBI:183991 - 2'-hydroxy-2,5,6'-trimethoxychalcone

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ChEBI ID	CHEBI:183991
ChEBI Name	2'-hydroxy-2,5,6'-trimethoxychalcone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H18O5
Net Charge	0
Average Mass	314.337
Monoisotopic Mass	314.11542
SMILES	COc1ccc(OC)c(/C=C/C(=O)c2c(O)cccc2OC)c1
InChI	InChI=1S/C18H18O5/c1-21-13-8-10-16(22-2)12(11-13)7-9-15(20)18-14(19)5-4-6-17(18)23-3/h4-11,19H,1-3H3/b9-7+
InChIKey	IGGNNEJKAJQXOV-VQHVLOKHSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	small intestine (BTO:0000651)	MetaboLights (MTBLS3486)	Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835)	Whole Organism (NCIT:C13413)	MetaboLights (MTBLS3486)

ChEBI Ontology

Outgoing Relation(s)
	2'-hydroxy-2,5,6'-trimethoxychalcone (CHEBI:183991) is a chalcones (CHEBI:23086)

IUPAC Name
(E)-3-(2,5-dimethoxyphenyl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one

Manual Xrefs	Databases
49073237	ChemSpider