Isoharzianic acid (CHEBI:201345)

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CHEBI:201345 - Isoharzianic acid

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ChEBI ID	CHEBI:201345
ChEBI Name	Isoharzianic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H27NO6
Net Charge	0
Average Mass	365.426
Monoisotopic Mass	365.18384
SMILES	CCCC=CC=CC(O)=C1C(=O)[C@@H](CC(O)(C(=O)O)C(C)C)N(C)C1=O
InChI	InChI=1S/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,21,26H,5-6,11H2,1-4H3,(H,24,25)/t13-,19?/m1/s1
InChIKey	FQSWTHMMNDRFAI-BSOCMFCZSA-N

Species of Metabolite	Component	Source	Comments
Trichodermaspecies (ncbitaxon:1715253)	-	PubMed (25006784)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Isoharzianic acid (CHEBI:201345) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
2-hydroxy-2-[[(2R)-4-(1-hydroxyocta-2,4-dienylidene)-1-methyl-3,5-dioxopyrrolidin-2-yl]methyl]-3-methylbutanoic acid