5,5-dichloro-1-(3,5-dimethoxyphenyl)-1,4-dihydroxypentan-2-one (CHEBI:208801)

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CHEBI:208801 - 5,5-dichloro-1-(3,5-dimethoxyphenyl)-1,4-dihydroxypentan-2-one

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ChEBI ID	CHEBI:208801
ChEBI Name	5,5-dichloro-1-(3,5-dimethoxyphenyl)-1,4-dihydroxypentan-2-one
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Submitter	MetaboLights
Downloads	Molfile

Formula	C13H16Cl2O5
Net Charge	0
Average Mass	323.172
Monoisotopic Mass	322.03748
SMILES	COc1cc(OC)cc(C(O)C(=O)CC(O)C(Cl)Cl)c1
InChI	InChI=1S/C13H16Cl2O5/c1-19-8-3-7(4-9(5-8)20-2)12(18)10(16)6-11(17)13(14)15/h3-5,11-13,17-18H,6H2,1-2H3
InChIKey	SADWGZGCUXQBAY-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (31470583)

ChEBI Ontology

Outgoing Relation(s)
	5,5-dichloro-1-(3,5-dimethoxyphenyl)-1,4-dihydroxypentan-2-one (CHEBI:208801) is a dimethoxybenzene (CHEBI:51681)

IUPAC Name
5,5-dichloro-1-(3,5-dimethoxyphenyl)-1,4-dihydroxypentan-2-one

Manual Xrefs	Databases
81131475	ChemSpider