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CHEBI:227073 - Cytospolide C

Default Structure
ChEBI IDCHEBI:227073
ChEBI NameCytospolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O6
Net Charge0
Average Mass354.443
Monoisotopic Mass354.20424
SMILESCCCCC[C@H]1OC(=O)[C@H](C)[C@H](OC(C)=O)/C=C\CC[C@@H]1OC(C)=O
InChIInChI=1S/C19H30O6/c1-5-6-7-11-18-17(24-15(4)21)12-9-8-10-16(23-14(3)20)13(2)19(22)25-18/h8,10,13,16-18H,5-7,9,11-12H2,1-4H3/b10-8-/t13-,16-,17+,18-/m1/s1
InChIKeyTXKKHPOCYZDCHH-RUCGLTTGSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Cytospolide C (CHEBI:227073) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(2R,3S,6Z,8R,9R)-8-acetyloxy-9-methyl-10-oxo-2-pentyl-2,3,4,5,8,9-hexahydrooxecin-3-yl] acetate
Manual XrefsDatabases
78437820ChemSpider