2-ethylhexyl 1H-imidazole-4-carboxylate (CHEBI:211345)

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CHEBI:211345 - 2-ethylhexyl 1H-imidazole-4-carboxylate

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ChEBI ID	CHEBI:211345
ChEBI Name	2-ethylhexyl 1H-imidazole-4-carboxylate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H20N2O2
Net Charge	0
Average Mass	224.304
Monoisotopic Mass	224.15248
SMILES	CCCC[C@H](CC)COC(=O)c1cncn1
InChI	InChI=1S/C12H20N2O2/c1-3-5-6-10(4-2)8-16-12(15)11-7-13-9-14-11/h7,9-10H,3-6,8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKey	RNMKZOSCXUDMPT-JTQLQIEISA-N

Species of Metabolite	Component	Source	Comments
Micromonospora (ncbitaxon:1873)	-	PubMed (31729260)

ChEBI Ontology

Outgoing Relation(s)
	2-ethylhexyl 1H-imidazole-4-carboxylate (CHEBI:211345) is a imidazoles (CHEBI:24780)

IUPAC Name
2-ethylhexyl 1H-imidazole-5-carboxylate

Manual Xrefs	Databases
79300751	ChemSpider