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CHEBI:760939 - 3α-tigloyloxytropane

Default Structure
ChEBI IDCHEBI:760939
ChEBI Name3α-tigloyloxytropane
Stars
ASCII Name3alpha-tigloyloxytropane
Last Modified25 September 2026
Submitterabridge
DownloadsMolfile
FormulaC13H22NO2
Net Charge+1
Average Mass224.324
Monoisotopic Mass224.16451
SMILESC/C=C(\C)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C
InChIInChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/p+1/b9-4+/t10-,11+,12+
InChIKeyUVHGSMZRSVGWDJ-LKQNJMEQSA-O
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3α-tigloyloxytropane (CHEBI:760939) has functional parent tropinium (CHEBI:57554)
3α-tigloyloxytropane (CHEBI:760939) is a tropane alkaloid (CHEBI:37332)
Incoming Relation(s)
3β-tigloyloxytropane (CHEBI:760940) is enantiomer of 3α-tigloyloxytropane (CHEBI:760939)
UniProt Name  Source
3α-tigloyloxytropaneUniProt