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CHEBI:67508 - 19(E)-18-Demethoxygardfloramine-N(4)-oxide

ChEBI IDCHEBI:67508
ChEBI Name19(E)-18-Demethoxygardfloramine-N(4)-oxide
Stars
DefinitionA natural product found in Gardneria ovata.
Last Modified1 February 2017
DownloadsMolfile
FormulaC21H22N2O5
Net Charge0
Average Mass382.416
Monoisotopic Mass382.15287
SMILES[H][C@@]12COC3=Nc4cc5c(c(OC)c4[C@@]34C[C@]1([H])[N+]1([O-])C/C(=C/C)[C@]2([H])C[C@@]41[H])OCO5
InChIInChI=1S/C21H22N2O5/c1-3-10-7-23(24)14-6-21-16(23)4-11(10)12(14)8-26-20(21)22-13-5-15-18(28-9-27-15)19(25-2)17(13)21/h3,5,11-12,14,16H,4,6-9H2,1-2H3/b10-3-/t11-,12-,14-,16-,21-,23?/m0/s1
InChIKeyDQZDTIUNCHBKJR-NBSCQXKLSA-N
Species of MetaboliteComponentSourceComments
Gardneria ovata (ncbitaxon:84944) aerial part (BTO:0001658) PubMed (21425787) 90% methanolic extract of air-dried and powdered aerial parts
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
19(E)-18-Demethoxygardfloramine-N(4)-oxide (CHEBI:67508) has role metabolite (CHEBI:25212)
19(E)-18-Demethoxygardfloramine-N(4)-oxide (CHEBI:67508) is a tertiary amine oxide (CHEBI:134363)
19(E)-18-Demethoxygardfloramine-N(4)-oxide (CHEBI:67508) is a tropane alkaloid (CHEBI:37332)
Citations