AK-toxin II (CHEBI:218794)

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CHEBI:218794 - AK-toxin II

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ChEBI ID	CHEBI:218794
ChEBI Name	AK-toxin II
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H25NO6
Net Charge	0
Average Mass	399.443
Monoisotopic Mass	399.16819
SMILES	CC(=O)NC(Cc1ccccc1)C(=O)OC(/C=C/C=C/C=C/C(=O)O)C1(C)CO1
InChI	InChI=1S/C22H25NO6/c1-16(24)23-18(14-17-10-6-5-7-11-17)21(27)29-19(22(2)15-28-22)12-8-3-4-9-13-20(25)26/h3-13,18-19H,14-15H2,1-2H3,(H,23,24)(H,25,26)/b4-3+,12-8+,13-9+
InChIKey	UKDOGRQIIQQZBO-JKUFBBORSA-N

Species of Metabolite	Component	Source	Comments
Alternaria kikuchiana (ncbitaxon:1232598)	-	DOI (10.1016/s0040-4039(00)85630-0)

ChEBI Ontology

Outgoing Relation(s)
	AK-toxin II (CHEBI:218794) is a phenylalanine derivative (CHEBI:25985)

IUPAC Name
(2E,4E,6E)-8-(2-acetamido-3-phenylpropanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid

Manual Xrefs	Databases
78443849	ChemSpider