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CHEBI:227391 - Dibetaeminin B

ChEBI IDCHEBI:227391
ChEBI NameDibetaeminin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O4
Net Charge0
Average Mass242.315
Monoisotopic Mass242.15181
SMILESC[C@H](C(=O)[C@H]1CO[C@@]2(C)OC[C@@H]1[C@@H]2C)[C@@H](C)O
InChIInChI=1S/C13H22O4/c1-7(9(3)14)12(15)11-6-17-13(4)8(2)10(11)5-16-13/h7-11,14H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,13+/m0/s1
InChIKeyRLTGJZSHBMKGOY-URASHGAGSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (26641923)
ChEBI Ontology
Outgoing Relation(s)
Dibetaeminin B (CHEBI:227391) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2S,3R)-1-[(1R,4R,5R,8S)-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octan-4-yl]-3-hydroxy-2-methylbutan-1-one
Manual XrefsDatabases
58928515ChemSpider