Fusarisolin A (CHEBI:207801)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207801 - Fusarisolin A

Take structure to advanced search

ChEBI ID	CHEBI:207801
ChEBI Name	Fusarisolin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H34O5
Net Charge	0
Average Mass	366.498
Monoisotopic Mass	366.24062
SMILES	CC(=C\C(=O)O)/C=C(\C)C[C@H](C)CCCCC[C@@H](C)[C@H]1OC(=O)[C@@H]1CO
InChI	InChI=1S/C21H34O5/c1-14(10-15(2)11-16(3)12-19(23)24)8-6-5-7-9-17(4)20-18(13-22)21(25)26-20/h11-12,14,17-18,20,22H,5-10,13H2,1-4H3,(H,23,24)/b15-11+,16-12+/t14-,17-,18-,20-/m1/s1
InChIKey	XUNUQGSQIUZPQY-NQTPPWBLSA-N

Species of Metabolite	Component	Source	Comments
Fusarium (ncbitaxon:5506)	-	PubMed (30791608)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Fusarisolin A (CHEBI:207801) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(2E,4E,7R,13R)-13-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethyltetradeca-2,4-dienoic acid

Manual Xrefs	Databases
71120863	ChemSpider