Methyl 4-chloro-1H-indole-3-acetate (CHEBI:190058)

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CHEBI:190058 - Methyl 4-chloro-1H-indole-3-acetate

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ChEBI ID	CHEBI:190058
ChEBI Name	Methyl 4-chloro-1H-indole-3-acetate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H10ClNO2
Net Charge	0
Average Mass	223.659
Monoisotopic Mass	223.04001
SMILES	COC(=O)Cc1cnc2cccc(Cl)c12
InChI	InChI=1S/C11H10ClNO2/c1-15-10(14)5-7-6-13-9-4-2-3-8(12)11(7)9/h2-4,6,13H,5H2,1H3
InChIKey	SYPGJEURLIGNPE-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Brassica napus (ncbitaxon:3708)	flower (BTO:0000469)	MetaboLights (MTBLS3950)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Methyl 4-chloro-1H-indole-3-acetate (CHEBI:190058) is a indole-3-acetic acids (CHEBI:24803)

IUPAC Name
methyl 2-(4-chloro-1H-indol-3-yl)acetate

Manual Xrefs	Databases
141665	ChemSpider
HMDB0032937	HMDB

Registry Numbers	Sources
CAS:19077-78-2	ChemIDplus