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CHEBI:83948 - dihydrocanadensolide

ChEBI IDCHEBI:83948
ChEBI Namedihydrocanadensolide
Stars
DefinitionA member of the class of furofurans that is tetrahydrofuro[3,4-b]furan-2,4-dione substituted at positions 3 and 6 by methyl and butyl groups respectively (the 3R,3aR,6S,6aS-stereoisomer).
Last Modified1 December 2014
SubmitterSteve
DownloadsMolfile
FormulaC11H16O4
Net Charge0
Average Mass212.245
Monoisotopic Mass212.10486
SMILES[H][C@]12OC(=O)[C@H](C)[C@@]1([H])C(=O)O[C@H]2CCCC
InChIInChI=1S/C11H16O4/c1-3-4-5-7-9-8(11(13)14-7)6(2)10(12)15-9/h6-9H,3-5H2,1-2H3/t6-,7+,8-,9-/m1/s1
InChIKeyAKGDZWRMFDLKFE-BZNPZCIMSA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
dihydrocanadensolide (CHEBI:83948) has role fungal metabolite (CHEBI:76946)
dihydrocanadensolide (CHEBI:83948) is a furofuran (CHEBI:47790)
dihydrocanadensolide (CHEBI:83948) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3R,3aR,6S,6aS)-6-butyl-3-methyltetrahydrofuro[3,4-b]furan-2,4-dione
Synonym  Source
(+)-dihydrocanadensolideChEBI
Manual XrefsDatabases
WO2011134355Patent
Registry NumbersSources
Reaxys:4294813Reaxys
Citations