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CHEBI:67511 - 19(E)-9,18-Didemethoxygardneramine

ChEBI IDCHEBI:67511
ChEBI Name19(E)-9,18-Didemethoxygardneramine
Stars
DefinitionA natural product found in Gardneria ovata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILES[H][C@@]12COC3=Nc4c(OC)cc(OC)cc4[C@@]34C[C@]1([H])N1C/C(=C/C)[C@]2([H])C[C@]14[H]
InChIInChI=1S/C21H24N2O3/c1-4-11-9-23-16-8-21-15-5-12(24-2)6-17(25-3)19(15)22-20(21)26-10-14(16)13(11)7-18(21)23/h4-6,13-14,16,18H,7-10H2,1-3H3/b11-4-/t13-,14-,16-,18-,21+/m0/s1
InChIKeyHBPGSKLHBXLGBP-RMPARDTOSA-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)-9,18-Didemethoxygardneramine (CHEBI:67511) has role metabolite (CHEBI:25212)
19(E)-9,18-Didemethoxygardneramine (CHEBI:67511) is a tropane alkaloid (CHEBI:37332)
Citations