CHEBI:67513 - 9-Demethoxy-18-demethylgardneramine

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ChEBI Name 9-Demethoxy-18-demethylgardneramine
ChEBI ID CHEBI:67513
Definition A natural product found in Gardneria ovata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H24N2O4
Net Charge 0
Average Mass 368.42630
Monoisotopic Mass 368.17361
InChI InChI=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
InChIKey JHEWUOHZDCTKBI-QPUYBBDMSA-N
SMILES [H][C@]12C[C@]34C(OC[C@@]1([H])[C@]1([H])C[C@]3([H])N2C\C1=C/CO)=Nc1c(OC)cc(OC)cc41
Metabolite of Species Details
Gardneria ovata (NCBI:txid84944) Found in aerial part (BTO:0001658). 90% methanolic extract of air-dried and powdered aerial parts See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 9-Demethoxy-18-demethylgardneramine (CHEBI:67513) has role metabolite (CHEBI:25212)
9-Demethoxy-18-demethylgardneramine (CHEBI:67513) is a tropane alkaloid (CHEBI:37332)
Citation Waiting for Citations Type Source
21425787 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:indolizines(CHEBI:38485); ISA:indoles(CHEBI:24828); ISA:methoxybenzene(CHEBI:51683); ISA:quinuclidines(CHEBI:26518); ISA:aralkylamine(CHEBI:18000); ISA:oxacycle(CHEBI:38104); ISA:aromatic ether(CHEBI:35618); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:piperidines(CHEBI:26151); ISA:imidate(CHEBI:52479); ISA:tertiary amine(CHEBI:32876); ISA:dipolar compound(CHEBI:51151); ISA:primary alcohol(CHEBI:15734);