Fusaridioic acid A (CHEBI:209418)

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CHEBI:209418 - Fusaridioic acid A

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ChEBI ID	CHEBI:209418
ChEBI Name	Fusaridioic acid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H30O6
Net Charge	0
Average Mass	342.432
Monoisotopic Mass	342.20424
SMILES	CC(=C\C(=O)O)/C=C(\C)C[C@H](C)CCCC[C@@H](O)[C@H](CO)C(=O)O
InChI	InChI=1S/C18H30O6/c1-12(8-13(2)9-14(3)10-17(21)22)6-4-5-7-16(20)15(11-19)18(23)24/h9-10,12,15-16,19-20H,4-8,11H2,1-3H3,(H,21,22)(H,23,24)/b13-9+,14-10+/t12-,15+,16-/m1/s1
InChIKey	QFZISQBFEIXWDM-WKSNGHSCSA-N

Species of Metabolite	Component	Source	Comments
Fusarium (ncbitaxon:5506)	-	PubMed (30513984)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Fusaridioic acid A (CHEBI:209418) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(2E,4E,7R,12R,13S)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid

Manual Xrefs	Databases
71048631	ChemSpider