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CHEBI:227396 - Dibetaeminin C

ChEBI IDCHEBI:227396
ChEBI NameDibetaeminin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O4
Net Charge0
Average Mass244.331
Monoisotopic Mass244.16746
SMILESCC[C@H](C)C(=O)[C@H]1[C@H](CO)[C@H](C)[C@H](C)O[C@@H]1O
InChIInChI=1S/C13H24O4/c1-5-7(2)12(15)11-10(6-14)8(3)9(4)17-13(11)16/h7-11,13-14,16H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,13-/m0/s1
InChIKeyNBASOICTCXAKEZ-HYDVQPLPSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (26641923)
ChEBI Ontology
Outgoing Relation(s)
Dibetaeminin C (CHEBI:227396) is a oxanes (CHEBI:46942)
IUPAC Name 
(2S)-1-[(2S,3S,4R,5S,6S)-2-hydroxy-4-(hydroxymethyl)-5,6-dimethyloxan-3-yl]-2-methylbutan-1-one
Manual XrefsDatabases
58928516ChemSpider