CHEBI:202835 - Poronitin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Poronitin B
ChEBI ID CHEBI:202835
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000095678261
Download Molfile XML SDF
Formula C20H24N2O5
Net Charge 0
Average Mass 372.421
Monoisotopic Mass 372.16852
InChI InChI=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+
InChIKey IBYSWVIXXYFGCG-FCGWLDPVSA-N
SMILES O=C1C(C(=O)NC(=O)CC(C)C)=CNC(=C1)/C=C/CC/C=C/C=C/C(=O)O
Metabolite of Species Details
Poronia (NCBI:txid101474) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78434730 ChemSpider
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