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CHEBI:68284 - (+)-microdiplodiasone

ChEBI IDCHEBI:68284
ChEBI Name(+)-microdiplodiasone
Stars
DefinitionAn organic heterobicyclic compound that is 2,3-dihydro-4H-chromen-4-one substituted by hydroxy groups at positions 5 and 7, a methyl group at position 2 and a 5-oxotetrahydrofuran-2-yl group at position 2. Isolated from the endophytic fungus Microdiplodia species, it exhibits antibacterial activity.
Last Modified23 August 2013
DownloadsMolfile
FormulaC14H14O6
Net Charge0
Average Mass278.260
Monoisotopic Mass278.07904
SMILES[H][C@]1([C@@]2(C)CC(=O)c3c(O)cc(O)cc3O2)CCC(=O)O1
InChIInChI=1S/C14H14O6/c1-14(11-2-3-12(18)19-11)6-9(17)13-8(16)4-7(15)5-10(13)20-14/h4-5,11,15-16H,2-3,6H2,1H3/t11-,14-/m1/s1
InChIKeyKYUNATJAFQPBJE-BXUZGUMPSA-N
Species of MetaboliteComponentSourceComments
Microdiplodia (ncbitaxon:371130) - PubMed (21244021) EtOAc extract of an endophytic fungi isolated from Lycium intricatum Strain: 9907
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(+)-microdiplodiasone (CHEBI:68284) has role antibacterial agent (CHEBI:33282)
(+)-microdiplodiasone (CHEBI:68284) has role metabolite (CHEBI:25212)
(+)-microdiplodiasone (CHEBI:68284) is a butan-4-olide (CHEBI:22950)
(+)-microdiplodiasone (CHEBI:68284) is a chromanone (CHEBI:38763)
(+)-microdiplodiasone (CHEBI:68284) is a organic heterobicyclic compound (CHEBI:27171)
(+)-microdiplodiasone (CHEBI:68284) is a resorcinols (CHEBI:33572)
IUPAC Name 
(2R)-5,7-dihydroxy-2-methyl-2-[(2R)-5-oxotetrahydrofuran-2-yl]-2,3-dihydro-4H-chromen-4-one
Citations