Cytospolide I (CHEBI:199221)

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CHEBI:199221 - Cytospolide I

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ChEBI ID	CHEBI:199221
ChEBI Name	Cytospolide I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H28O6
Net Charge	0
Average Mass	328.405
Monoisotopic Mass	328.18859
SMILES	CC(=O)O[C@@H](C)CCC[C@H]1OC(=O)[C@H](C)[C@H](O)/C=C/CC[C@@H]1O
InChI	InChI=1S/C17H28O6/c1-11(22-13(3)18)7-6-10-16-15(20)9-5-4-8-14(19)12(2)17(21)23-16/h4,8,11-12,14-16,19-20H,5-7,9-10H2,1-3H3/b8-4+/t11-,12+,14+,15-,16+/m0/s1
InChIKey	OQYOXNVWVYVMKJ-DLCLIBPNSA-N

Species of Metabolite	Component	Source	Comments
Cytosporaspecies (ncbitaxon:1715226)	-	PubMed (22011230)

ChEBI Ontology

Outgoing Relation(s)
	Cytospolide I (CHEBI:199221) is a oxacycle (CHEBI:38104)

IUPAC Name
[(2S)-5-[(2R,3S,6E,8R,9R)-3,8-dihydroxy-9-methyl-10-oxo-2,3,4,5,8,9-hexahydrooxecin-2-yl]pentan-2-yl] acetate

Manual Xrefs	Databases
78436476	ChemSpider