3-(2'-acetoxy-3'-oxo-4'-methylhexyl)-indole (CHEBI:221219)

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CHEBI:221219 - 3-(2'-acetoxy-3'-oxo-4'-methylhexyl)-indole

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ChEBI ID	CHEBI:221219
ChEBI Name	3-(2'-acetoxy-3'-oxo-4'-methylhexyl)-indole
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H21NO3
Net Charge	0
Average Mass	287.359
Monoisotopic Mass	287.15214
SMILES	CCC(C)C(=O)C(Cc1cnc2ccccc12)OC(C)=O
InChI	InChI=1S/C17H21NO3/c1-4-11(2)17(20)16(21-12(3)19)9-13-10-18-15-8-6-5-7-14(13)15/h5-8,10-11,16,18H,4,9H2,1-3H3
InChIKey	QIUGSZAEYGGUPJ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Xenorhabdus (ncbitaxon:626)	-	DOI (10.1021/np50121a016)

ChEBI Ontology

Outgoing Relation(s)
	3-(2'-acetoxy-3'-oxo-4'-methylhexyl)-indole (CHEBI:221219) is a indoles (CHEBI:24828)

IUPAC Name
[1-(1H-indol-3-yl)-4-methyl-3-oxohexan-2-yl] acetate

Manual Xrefs	Databases
24714963	ChemSpider