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CHEBI:202348 - Cytospolide J

ChEBI IDCHEBI:202348
ChEBI NameCytospolide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O6
Net Charge0
Average Mass328.405
Monoisotopic Mass328.18859
SMILESCC(=O)OCCCCC[C@H]1OC(=O)[C@H](C)[C@H](O)/C=C/CC[C@@H]1O
InChIInChI=1S/C17H28O6/c1-12-14(19)8-5-6-9-15(20)16(23-17(12)21)10-4-3-7-11-22-13(2)18/h5,8,12,14-16,19-20H,3-4,6-7,9-11H2,1-2H3/b8-5+/t12-,14-,15+,16-/m1/s1
InChIKeyRPIJRIYTAGVOJO-FQMFYJAASA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (22011230)
ChEBI Ontology
Outgoing Relation(s)
Cytospolide J (CHEBI:202348) is a oxacycle (CHEBI:38104)
IUPAC Name 
5-[(2R,3S,6E,8R,9R)-3,8-dihydroxy-9-methyl-10-oxo-2,3,4,5,8,9-hexahydrooxecin-2-yl]pentyl acetate
Manual XrefsDatabases
78436855ChemSpider