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CHEBI:215393 - Cadopherone B

Default Structure
ChEBI IDCHEBI:215393
ChEBI NameCadopherone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O4
Net Charge0
Average Mass240.299
Monoisotopic Mass240.13616
SMILESCCC(C)C1=C(C(=O)O)[C@H]([C@@H](C)C(C)=O)CO1
InChIInChI=1S/C13H20O4/c1-5-7(2)12-11(13(15)16)10(6-17-12)8(3)9(4)14/h7-8,10H,5-6H2,1-4H3,(H,15,16)/t7?,8-,10-/m0/s1
InChIKeyQBXZVKZUNGPRCO-CFGJQEBVSA-N
Species of MetaboliteComponentSourceComments
Cadophora (ncbitaxon:210567) - PubMed (29366851)
ChEBI Ontology
Outgoing Relation(s)
Cadopherone B (CHEBI:215393) is a dihydrofuran (CHEBI:51659)
IUPAC Name 
(3S)-5-butan-2-yl-3-[(2R)-3-oxobutan-2-yl]-2,3-dihydrouran-4-carboxylic acid
Manual XrefsDatabases
78442262ChemSpider