Poronitin A (CHEBI:197965)

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CHEBI:197965 - Poronitin A

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ChEBI ID	CHEBI:197965
ChEBI Name	Poronitin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H23NO6
Net Charge	0
Average Mass	373.405
Monoisotopic Mass	373.15254
SMILES	CC(C)CC(=O)NC(=O)c1coc(/C=C/CC/C=C/C=C/C(=O)O)cc1=O
InChI	InChI=1S/C20H23NO6/c1-14(2)11-18(23)21-20(26)16-13-27-15(12-17(16)22)9-7-5-3-4-6-8-10-19(24)25/h4,6-10,12-14H,3,5,11H2,1-2H3,(H,24,25)(H,21,23,26)/b6-4+,9-7+,10-8+
InChIKey	XMYHWVMJOYWQFI-FCGWLDPVSA-N

Species of Metabolite	Component	Source	Comments
Poronia (ncbitaxon:101474)	-	DOI (10.1016/j.tetlet.2012.06.128)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Poronitin A (CHEBI:197965) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E,8E)-9-[5-(3-methylbutanoylcarbamoyl)-4-oxopyran-2-yl]nona-2,4,8-trienoic acid

Manual Xrefs	Databases
78434606	ChemSpider