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CHEBI:70086 - 3-(3,4,5-timethoxyphenyl)propanoylpyrrole

ChEBI IDCHEBI:70086
ChEBI Name3-(3,4,5-timethoxyphenyl)propanoylpyrrole
Stars
DefinitionA natural product found in Piper boehmeriaefolium.
Last Modified22 September 2014
DownloadsMolfile
FormulaC16H19NO4
Net Charge0
Average Mass289.331
Monoisotopic Mass289.13141
SMILESCOc1cc(CCC(=O)n2cccc2)cc(OC)c1OC
InChIInChI=1S/C16H19NO4/c1-19-13-10-12(11-14(20-2)16(13)21-3)6-7-15(18)17-8-4-5-9-17/h4-5,8-11H,6-7H2,1-3H3
InChIKeyOEPMYHLWGJDONN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Piper boehmeriaefolium (ncbitaxon:130389) whole plant (BTO:0001461) PubMed (21158422) Methanolic extract of air-dried, powdered whole plant
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
3-(3,4,5-timethoxyphenyl)propanoylpyrrole (CHEBI:70086) has role metabolite (CHEBI:25212)
3-(3,4,5-timethoxyphenyl)propanoylpyrrole (CHEBI:70086) is a amine (CHEBI:32952)
Citations