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CHEBI:211589 - Colomitide B

ChEBI IDCHEBI:211589
ChEBI NameColomitide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O3
Net Charge0
Average Mass226.316
Monoisotopic Mass226.15689
SMILESCC[C@H](C)C(=O)[C@H]1CO[C@]2(C)OC[C@H]1[C@H]2C
InChIInChI=1S/C13H22O3/c1-5-8(2)12(14)11-7-16-13(4)9(3)10(11)6-15-13/h8-11H,5-7H2,1-4H3/t8-,9+,10-,11-,13-/m0/s1
InChIKeyLYIHRLYQELBUKR-FBUUZDRASA-N
ChEBI Ontology
Outgoing Relation(s)
Colomitide B (CHEBI:211589) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2S)-1-[(1S,4R,5S,8R)-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octan-4-yl]-2-methylbutan-1-one
Manual XrefsDatabases
78441105ChemSpider