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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 8alpha-acetoxy-5alpha-hydroxy-7-oxodecan-10-olide
ChEBI ID CHEBI:203919
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H18O6
Net Charge 0
Average Mass 258.270
Monoisotopic Mass 258.11034
InChI InChI=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
InChIKey VSNVWTRDWTULGY-POZPLHJXSA-N
SMILES O=C1O[C@@H](C[C@@H](OC(=O)C)C(=O)C[C@H](CC1)O)C
Metabolite of Species Details
Phomopsisspecies (NCBI:txid1715245) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
24692482 ChemSpider
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