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CHEBI:203323 - Cytospolide A

ChEBI IDCHEBI:203323
ChEBI NameCytospolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O5
Net Charge0
Average Mass312.406
Monoisotopic Mass312.19367
SMILESCCCCC[C@H]1OC(=O)[C@H](C)[C@H](OC(C)=O)/C=C\CC[C@@H]1O
InChIInChI=1S/C17H28O5/c1-4-5-6-11-16-14(19)9-7-8-10-15(21-13(3)18)12(2)17(20)22-16/h8,10,12,14-16,19H,4-7,9,11H2,1-3H3/b10-8-/t12-,14+,15-,16-/m1/s1
InChIKeyMIEWCUANQVMLSO-NWWHCMDPSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Cytospolide A (CHEBI:203323) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(2R,3S,6Z,8R,9R)-3-hydroxy-9-methyl-10-oxo-2-pentyl-2,3,4,5,8,9-hexahydrooxecin-8-yl] acetate
Manual XrefsDatabases
78436992ChemSpider