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CHEBI:215374 - Colomitide C

ChEBI IDCHEBI:215374
ChEBI NameColomitide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O3
Net Charge0
Average Mass212.289
Monoisotopic Mass212.14124
SMILESCCCC(=O)[C@H]1CO[C@]2(C)OC[C@H]1[C@H]2C
InChIInChI=1S/C12H20O3/c1-4-5-11(13)10-7-15-12(3)8(2)9(10)6-14-12/h8-10H,4-7H2,1-3H3/t8-,9+,10+,12+/m1/s1
InChIKeyVFZKLWDDCYFTST-WDCWCFNPSA-N
Species of MetaboliteComponentSourceComments
Cadophora (ncbitaxon:210567) - PubMed (29366851)
ChEBI Ontology
Outgoing Relation(s)
Colomitide C (CHEBI:215374) is a oxacycle (CHEBI:38104)
IUPAC Name 
1-[(1S,4R,5S,8R)-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octan-4-yl]butan-1-one
Manual XrefsDatabases
78442259ChemSpider