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CHEBI:203919 - 8alpha-acetoxy-5alpha-hydroxy-7-oxodecan-10-olide

ChEBI IDCHEBI:203919
ChEBI Name8alpha-acetoxy-5alpha-hydroxy-7-oxodecan-10-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O6
Net Charge0
Average Mass258.270
Monoisotopic Mass258.11034
SMILESCC(=O)O[C@@H]1C[C@@H](C)OC(=O)CC[C@H](O)CC1=O
InChIInChI=1S/C12H18O6/c1-7-5-11(18-8(2)13)10(15)6-9(14)3-4-12(16)17-7/h7,9,11,14H,3-6H2,1-2H3/t7-,9+,11-/m1/s1
InChIKeyVSNVWTRDWTULGY-POZPLHJXSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (18336005)
ChEBI Ontology
Outgoing Relation(s)
8alpha-acetoxy-5alpha-hydroxy-7-oxodecan-10-olide (CHEBI:203919) is a carboxylic ester (CHEBI:33308)
8alpha-acetoxy-5alpha-hydroxy-7-oxodecan-10-olide (CHEBI:203919) is a ketone (CHEBI:17087)
IUPAC Name 
[(2R,4R,7S)-7-hydroxy-2-methyl-5,10-dioxooxecan-4-yl] acetate
Manual XrefsDatabases
24692482ChemSpider