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CHEBI:216433 - Cytospolide L

ChEBI IDCHEBI:216433
ChEBI NameCytospolide L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O5
Net Charge0
Average Mass312.406
Monoisotopic Mass312.19367
SMILESCC(=O)O[C@@H](C)CCC[C@@H]1CCC/C=C/[C@@H](O)[C@@H](C)C(=O)O1
InChIInChI=1S/C17H28O5/c1-12(21-14(3)18)8-7-10-15-9-5-4-6-11-16(19)13(2)17(20)22-15/h6,11-13,15-16,19H,4-5,7-10H2,1-3H3/b11-6+/t12-,13+,15-,16+/m0/s1
InChIKeyHVIXFJUWWGYPPJ-WBVZEZCUSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (22011230)
ChEBI Ontology
Outgoing Relation(s)
Cytospolide L (CHEBI:216433) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(2S)-5-[(2S,6E,8R,9R)-8-hydroxy-9-methyl-10-oxo-2,3,4,5,8,9-hexahydrooxecin-2-yl]pentan-2-yl] acetate
Manual XrefsDatabases
78438640ChemSpider