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CHEBI:70066 - Macrophyllionium

ChEBI IDCHEBI:70066
ChEBI NameMacrophyllionium
Stars
DefinitionA natural product found in Uncaria macrophylla.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H30N2O4
Net Charge0
Average Mass398.503
Monoisotopic Mass398.22056
SMILES[H][C@]1(/C(=C\OC)C(=O)OC)C[C@]2([H])[C@]3(CC[N@+]2(C)C[C@@H]1CC)C([O-])=Nc1ccccc13
InChIInChI=1S/C23H30N2O4/c1-5-15-13-25(2)11-10-23(18-8-6-7-9-19(18)24-22(23)27)20(25)12-16(15)17(14-28-3)21(26)29-4/h6-9,14-16,20H,5,10-13H2,1-4H3/b17-14+/t15-,16-,20+,23+,25+/m0/s1
InChIKeyQVNYBASBMONTJV-WHLUUPBTSA-N
Species of MetaboliteComponentSourceComments
Uncaria macrophylla (ncbitaxon:714513) aerial part (BTO:0001658) PubMed (21070010) Emulsion layer of methanolic extract of dried and powdered aerial parts
Roles Classification
Biological Role:
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)
Macrophyllionium (CHEBI:70066) has role metabolite (CHEBI:25212)
Macrophyllionium (CHEBI:70066) is a indolizines (CHEBI:38485)
Synonym  Source
(1R,4R,6R,7S,8aR)-7-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-6-ethyl-4-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium1,3'-indole]-2'-olateChEBI
Citations