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CHEBI:67513 - 9-Demethoxy-18-demethylgardneramine

ChEBI IDCHEBI:67513
ChEBI Name9-Demethoxy-18-demethylgardneramine
Stars
DefinitionA natural product found in Gardneria ovata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H24N2O4
Net Charge0
Average Mass368.433
Monoisotopic Mass368.17361
SMILES[H][C@@]12COC3=Nc4c(OC)cc(OC)cc4[C@@]34C[C@]1([H])N1C/C(=C\CO)[C@]2([H])C[C@]14[H]
InChIInChI=1S/C21H24N2O4/c1-25-12-5-15-19(17(6-12)26-2)22-20-21(15)8-16-14(10-27-20)13-7-18(21)23(16)9-11(13)3-4-24/h3,5-6,13-14,16,18,24H,4,7-10H2,1-2H3/b11-3+/t13-,14-,16-,18-,21+/m0/s1
InChIKeyJHEWUOHZDCTKBI-QPUYBBDMSA-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)
9-Demethoxy-18-demethylgardneramine (CHEBI:67513) has role metabolite (CHEBI:25212)
9-Demethoxy-18-demethylgardneramine (CHEBI:67513) is a tropane alkaloid (CHEBI:37332)
Citations