3-(2'-acetoxy-3'-oxo-4'-methylpentyl)-indole (CHEBI:200350)

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CHEBI:200350 - 3-(2'-acetoxy-3'-oxo-4'-methylpentyl)-indole

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ChEBI ID	CHEBI:200350
ChEBI Name	3-(2'-acetoxy-3'-oxo-4'-methylpentyl)-indole
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H19NO3
Net Charge	0
Average Mass	273.332
Monoisotopic Mass	273.13649
SMILES	CC(=O)O[C@@H](Cc1cnc2ccccc12)C(=O)C(C)C
InChI	InChI=1S/C16H19NO3/c1-10(2)16(19)15(20-11(3)18)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9-10,15,17H,8H2,1-3H3/t15-/m0/s1
InChIKey	MNIVLQOKRHODTM-HNNXBMFYSA-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'-methylpentyl)-indole (CHEBI:200350) is a indoles (CHEBI:24828)

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

Manual Xrefs	Databases
24711092	ChemSpider