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CHEBI:212619 - Cytospolide B

ChEBI IDCHEBI:212619
ChEBI NameCytospolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O5
Net Charge0
Average Mass312.406
Monoisotopic Mass312.19367
SMILESCCCCC[C@H]1OC(=O)[C@H](C)[C@H](O)/C=C\CC[C@@H]1OC(C)=O
InChIInChI=1S/C17H28O5/c1-4-5-6-10-16-15(21-13(3)18)11-8-7-9-14(19)12(2)17(20)22-16/h7,9,12,14-16,19H,4-6,8,10-11H2,1-3H3/b9-7-/t12-,14-,15+,16-/m1/s1
InChIKeyQHXMFFURBASZNH-OOIOKDSXSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Cytospolide B (CHEBI:212619) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(2R,3S,6Z,8R,9R)-8-hydroxy-9-methyl-10-oxo-2-pentyl-2,3,4,5,8,9-hexahydrooxecin-3-yl] acetate
Manual XrefsDatabases
78438010ChemSpider