ethyl 5-ethoxy-1H-indole-2-carboxylate (CHEBI:192576)

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CHEBI:192576 - ethyl 5-ethoxy-1H-indole-2-carboxylate

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ChEBI ID	CHEBI:192576
ChEBI Name	ethyl 5-ethoxy-1H-indole-2-carboxylate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H15NO3
Net Charge	0
Average Mass	233.267
Monoisotopic Mass	233.10519
SMILES	CCOC(=O)c1cc2cc(OCC)ccc2n1
InChI	InChI=1S/C13H15NO3/c1-3-16-10-5-6-11-9(7-10)8-12(14-11)13(15)17-4-2/h5-8,14H,3-4H2,1-2H3
InChIKey	IMFWDOPIAXKRBO-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Valsa sordida (ncbitaxon:252740)	Whole Organism (NCIT:C13413)	MetaboLights (MTBLS4463)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	ethyl 5-ethoxy-1H-indole-2-carboxylate (CHEBI:192576) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name
ethyl 5-ethoxy-1H-indole-2-carboxylate

Manual Xrefs	Databases
2024439	ChemSpider