CHEBI:66774 - Pordamacrine A, (rel)-

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ChEBI Name Pordamacrine A, (rel)-
ChEBI ID CHEBI:66774
Definition A natural product found in Daphniphyllum macropodum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H31NO5
Net Charge 0
Average Mass 401.49590
Monoisotopic Mass 401.22022
InChI InChI=1S/C23H31NO5/c1-13-10-24-11-15-5-3-14-4-6-16-17(19(26)29-2)9-21(18(14)16)20(15,12-25)7-8-22(13,27)23(21,24)28/h7-8,13,15-17,25,27-28H,3-6,9-12H2,1-2H3/t13-,15-,16-,17-,20-,21-,22+,23+/m1/s1
InChIKey STEHXMPTKMFKML-MXJQEVSQSA-N
SMILES [H][C@]12CCC3=C4[C@]([H])(CC3)[C@@H](C[C@]43[C@@]1(CO)C=C[C@]1(O)[C@H](C)CN(C2)[C@]31O)C(=O)OC
Metabolite of Species Details
Daphniphyllum macropodum (NCBI:txid276776) Found in leaf (BTO:0000713). 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.
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ChEBI Ontology
Outgoing Pordamacrine A, (rel)- (CHEBI:66774) has role metabolite (CHEBI:25212)
Pordamacrine A, (rel)- (CHEBI:66774) is a sesquiterpenoid (CHEBI:26658)
Citation Waiting for Citations Type Source
17708656 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:azaspiro compound(CHEBI:35624); ISA:indolizines(CHEBI:38485); ISA:indoles(CHEBI:24828); ISA:piperidines(CHEBI:26151); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary alcohol(CHEBI:26878); ISA:tertiary amine(CHEBI:32876); ISA:hemiaminal(CHEBI:73080); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);