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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-(2'-acetoxy-3'-oxo-4'-methylhexyl)-indole
ChEBI ID CHEBI:221219
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H21NO3
Net Charge 0
Average Mass 287.359
Monoisotopic Mass 287.15214
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
SMILES O=C(C(OC(=O)C)CC=1C2=C(C=CC=C2)NC1)C(CC)C
Metabolite of Species Details
Xenorhabdus (NCBI:txid626) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
24714963 ChemSpider
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