methyl-3′,5′-dichloro-4,4′-di-O-methylatromentate (CHEBI:203158)

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CHEBI:203158 - methyl-3′,5′-dichloro-4,4′-di-O-methylatromentate

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ChEBI ID	CHEBI:203158
ChEBI Name	methyl-3′,5′-dichloro-4,4′-di-O-methylatromentate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H16Cl2O7
Net Charge	0
Average Mass	451.258
Monoisotopic Mass	450.02731
SMILES	COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1cc(Cl)c(OC)c(Cl)c1
InChI	InChI=1S/C21H16Cl2O7/c1-27-12-6-4-10(5-7-12)15-17(24)19(30-21(15)26)16(20(25)29-3)11-8-13(22)18(28-2)14(23)9-11/h4-9,24H,1-3H3/b19-16+
InChIKey	QDZNBMMQDUVSEQ-KNTRCKAVSA-N

Species of Metabolite	Component	Source	Comments
Sclerodermaspecies (ncbitaxon:1745723)	-	PubMed (16378381)

ChEBI Ontology

Outgoing Relation(s)
	methyl-3′,5′-dichloro-4,4′-di-O-methylatromentate (CHEBI:203158) is a dichlorobenzene (CHEBI:23697)

IUPAC Name
methyl (2E)-2-(3,5-dichloro-4-methoxyphenyl)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxouran-2-ylidene]acetate

Manual Xrefs	Databases
24534615	ChemSpider