Fusaspirol B (CHEBI:226580)

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CHEBI:226580 - Fusaspirol B

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ChEBI ID	CHEBI:226580
ChEBI Name	Fusaspirol B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H20O6
Net Charge	0
Average Mass	320.341
Monoisotopic Mass	320.12599
SMILES	C=C1OC(=O)[C@@]2([C@H](/C=C/C=C/C)C=C[C@H](OC(C)=O)[C@@H]2O)[C@H]1O
InChI	InChI=1S/C17H20O6/c1-4-5-6-7-12-8-9-13(23-11(3)18)15(20)17(12)14(19)10(2)22-16(17)21/h4-9,12-15,19-20H,2H2,1,3H3/b5-4+,7-6+/t12-,13+,14+,15+,17+/m1/s1
InChIKey	QDKWUNFAPAGADH-FWBHNOMLSA-N

Species of Metabolite	Component	Source	Comments
Fusarium (ncbitaxon:5506)	-	DOI (10.1016/j.tet.2019.01.052)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Fusaspirol B (CHEBI:226580) is a dicarboxylic acid (CHEBI:35692)

IUPAC Name
[(4R,5R,6R,7S,10R)-4,6-dihydroxy-3-methylidene-1-oxo-10-[(1E,3E)-penta-1,3-dienyl]-2-oxaspiro[4.5]dec-8-en-7-yl] acetate