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CHEBI:215381 - Colomitide D

ChEBI IDCHEBI:215381
ChEBI NameColomitide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O3
Net Charge0
Average Mass226.316
Monoisotopic Mass226.15689
SMILESCC[C@H](C)C(=O)C1=CO[C@@H](C)[C@H](C)[C@@H]1CO
InChIInChI=1S/C13H22O3/c1-5-8(2)13(15)12-7-16-10(4)9(3)11(12)6-14/h7-11,14H,5-6H2,1-4H3/t8-,9-,10-,11-/m0/s1
InChIKeyJWSNIEGSHCVGDM-NAKRPEOUSA-N
Species of MetaboliteComponentSourceComments
Cadophora (ncbitaxon:210567) - PubMed (29366851)
ChEBI Ontology
Outgoing Relation(s)
Colomitide D (CHEBI:215381) is a enol ether (CHEBI:47985)
Colomitide D (CHEBI:215381) is a enone (CHEBI:51689)
IUPAC Name 
(2S)-1-[(2S,3R,4S)-4-(hydroxymethyl)-2,3-dimethyl-3,4-dihydro-2H-pyran-5-yl]-2-methylbutan-1-one
Manual XrefsDatabases
78442260ChemSpider