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CHEBI:202835 - Poronitin B

ChEBI IDCHEBI:202835
ChEBI NamePoronitin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N2O5
Net Charge0
Average Mass372.421
Monoisotopic Mass372.16852
SMILESCC(C)CC(=O)NC(=O)c1cnc(/C=C/CC/C=C/C=C/C(=O)O)cc1=O
InChIInChI=1S/C20H24N2O5/c1-14(2)11-18(24)22-20(27)16-13-21-15(12-17(16)23)9-7-5-3-4-6-8-10-19(25)26/h4,6-10,12-14H,3,5,11H2,1-2H3,(H,21,23)(H,25,26)(H,22,24,27)/b6-4+,9-7+,10-8+
InChIKeyIBYSWVIXXYFGCG-FCGWLDPVSA-N
Species of MetaboliteComponentSourceComments
Poronia (ncbitaxon:101474) - DOI (10.1016/j.tetlet.2012.06.128)
ChEBI Ontology
Outgoing Relation(s)
Poronitin B (CHEBI:202835) has functional parent nicotinamide (CHEBI:17154)
Poronitin B (CHEBI:202835) is a pyridinecarboxamide (CHEBI:25529)
IUPAC Name 
(2E,4E,8E)-9-[5-(3-methylbutanoylcarbamoyl)-4-oxo-1H-pyridin-2-yl]nona-2,4,8-trienoic acid
Manual XrefsDatabases
78434730ChemSpider