Dimethyl 4-hydroxyisophthalate (CHEBI:194259)

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CHEBI:194259 - Dimethyl 4-hydroxyisophthalate

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ChEBI ID	CHEBI:194259
ChEBI Name	Dimethyl 4-hydroxyisophthalate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H10O5
Net Charge	0
Average Mass	210.185
Monoisotopic Mass	210.05282
SMILES	COC(=O)c1ccc(O)c(C(=O)OC)c1
InChI	InChI=1S/C10H10O5/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5,11H,1-2H3
InChIKey	ALBUJVBOIXVVLS-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	peripheral blood mononuclear cell (BTO:0001025)	MetaboLights (MTBLS6661)

Roles Classification

endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system

ChEBI Ontology

Outgoing Relation(s)
	Dimethyl 4-hydroxyisophthalate (CHEBI:194259) is a phthalate ester (CHEBI:35484)

IUPAC Name
dimethyl 4-hydroxybenzene-1,3-dicarboxylate

Manual Xrefs	Databases
72337	ChemSpider