3alpha-Tigloyloxytropane N-oxide (CHEBI:173730)

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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	3alpha-Tigloyloxytropane N-oxide

ChEBI ID	CHEBI:173730

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H21NO3

Net Charge

Average Mass

239.315

Monoisotopic Mass

239.15214

InChI

InChI=1S/C13H21NO3/c1-4-9(2)13(15)17-12-7-10-5-6-11(8-12)14(10,3)16/h4,10-12H,5-8H2,1-3H3/b9-4+

InChIKey

VNARLHBYSZUQEN-RUDMXATFSA-N

SMILES

[O-][N+]1(C2CCC1CC(OC(=O)/C(/C)=C/C)C2)C

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	3alpha-Tigloyloxytropane N-oxide (CHEBI:173730) is a tropane alkaloid (CHEBI:37332)

IUPAC Name

(8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-methylbut-2-enoate