Botryosphaerilactone A (CHEBI:201073)

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CHEBI:201073 - Botryosphaerilactone A

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ChEBI ID	CHEBI:201073
ChEBI Name	Botryosphaerilactone A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H24O5
Net Charge	0
Average Mass	272.341
Monoisotopic Mass	272.16237
SMILES	C[C@@H]1[C@@H](OC[C@H]2[C@H](C)C(=O)O[C@@H]2C)O[C@H](C)[C@H]1CO
InChI	InChI=1S/C14H24O5/c1-7-12(10(4)18-13(7)16)6-17-14-8(2)11(5-15)9(3)19-14/h7-12,14-15H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,12-,14-/m0/s1
InChIKey	GGZMQQUHNRCSRE-WRVUBZDDSA-N

Species of Metabolite	Component	Source	Comments
Botryosphaeria (ncbitaxon:45132)	-	DOI (10.1016/j.tet.2009.10.084)

ChEBI Ontology

Outgoing Relation(s)
	Botryosphaerilactone A (CHEBI:201073) is a γ-lactone (CHEBI:37581)

IUPAC Name
(3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one

Manual Xrefs	Databases
28287137	ChemSpider