3-(2'-Hydroxy-3'-oxo-4'-methylhexyl)-indole (CHEBI:220715)

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CHEBI:220715 - 3-(2'-Hydroxy-3'-oxo-4'-methylhexyl)-indole

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ChEBI ID	CHEBI:220715
ChEBI Name	3-(2'-Hydroxy-3'-oxo-4'-methylhexyl)-indole
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H19NO2
Net Charge	0
Average Mass	245.322
Monoisotopic Mass	245.14158
SMILES	CCC(C)C(=O)C(O)Cc1cnc2ccccc12
InChI	InChI=1S/C15H19NO2/c1-3-10(2)15(18)14(17)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9-10,14,16-17H,3,8H2,1-2H3
InChIKey	GRVFODKSPHRUNC-UHFFFAOYSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	3-(2'-Hydroxy-3'-oxo-4'-methylhexyl)-indole (CHEBI:220715) is a indoles (CHEBI:24828)

IUPAC Name
2-hydroxy-1-(1H-indol-3-yl)-4-methylhexan-3-one

Manual Xrefs	Databases
24691961	ChemSpider