Fusarisolin B (CHEBI:207807)

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CHEBI:207807 - Fusarisolin B

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ChEBI ID	CHEBI:207807
ChEBI Name	Fusarisolin B
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@@]1(C)C[C@@H](CO)C(=O)O1
InChI	InChI=1S/C21H34O5/c1-15(10-16(2)11-17(3)12-19(23)24)8-6-5-7-9-21(4)13-18(14-22)20(25)26-21/h11-12,15,18,22H,5-10,13-14H2,1-4H3,(H,23,24)/b16-11+,17-12+/t15-,18+,21+/m1/s1
InChIKey	GTNWPOFMIVGESM-QQGUQAMYSA-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 B (CHEBI:207807) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(2E,4E,7R)-12-[(2S,4S)-4-(hydroxymethyl)-2-methyl-5-oxooxolan-2-yl]-3,5,7-trimethyldodeca-2,4-dienoic acid

Manual Xrefs	Databases
71120864	ChemSpider