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CHEBI:67517 - 18-demethylgardneramine

ChEBI IDCHEBI:67517
ChEBI Name18-demethylgardneramine
Stars
DefinitionA natural product found in Gardneria ovata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H26N2O5
Net Charge0
Average Mass398.459
Monoisotopic Mass398.18417
SMILES[H][C@@]12COC3=Nc4c(OC)cc(OC)c(OC)c4[C@@]34C[C@]1([H])N1C/C(=C\CO)[C@]2([H])C[C@]14[H]
InChIInChI=1S/C22H26N2O5/c1-26-15-7-16(27-2)20(28-3)18-19(15)23-21-22(18)8-14-13(10-29-21)12-6-17(22)24(14)9-11(12)4-5-25/h4,7,12-14,17,25H,5-6,8-10H2,1-3H3/b11-4+/t12-,13-,14-,17-,22-/m0/s1
InChIKeySGRASRCZUGHSHN-HTEZAAIQSA-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)
18-demethylgardneramine (CHEBI:67517) has role metabolite (CHEBI:25212)
18-demethylgardneramine (CHEBI:67517) is a tropane alkaloid (CHEBI:37332)
Citations