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CHEBI:227400 - Dibetaeminin D/E

Default Structure
ChEBI IDCHEBI:227400
ChEBI NameDibetaeminin D/E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O3
Net Charge0
Average Mass228.332
Monoisotopic Mass228.17254
SMILESCCC(C)C(=O)[C@@H]1CO[C@@H](C)[C@@H](C)[C@H]1CO
InChIInChI=1S/C13H24O3/c1-5-8(2)13(15)12-7-16-10(4)9(3)11(12)6-14/h8-12,14H,5-7H2,1-4H3/t8?,9-,10+,11-,12-/m1/s1
InChIKeyILQFSRPXYDFPAM-UPUXHGCUSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (26641923)
ChEBI Ontology
Outgoing Relation(s)
Dibetaeminin D/E (CHEBI:227400) is a oxanes (CHEBI:46942)
IUPAC Name 
1-[(3S,4R,5S,6S)-4-(hydroxymethyl)-5,6-dimethyloxan-3-yl]-2-methylbutan-1-one
Manual XrefsDatabases
58925862ChemSpider