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CHEBI:68286 - microdiplactone

Default Structure
ChEBI IDCHEBI:68286
ChEBI Namemicrodiplactone
Stars
DefinitionAn oxazinane that is 1,4-oxazepane substituted by propyl groups at positions 3 and 4 and an oxo group at position 7. It is isolated from the endophytic fungus Microdiplodia species.
Last Modified19 May 2014
DownloadsMolfile
FormulaC11H21NO2
Net Charge0
Average Mass199.294
Monoisotopic Mass199.15723
SMILESCCCC1COC(=O)CCN1CCC
InChIInChI=1S/C11H21NO2/c1-3-5-10-9-14-11(13)6-8-12(10)7-4-2/h10H,3-9H2,1-2H3
InChIKeyRAKAYJBOINMECV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microdiplodia (ncbitaxon:371130) - PubMed (21244021) EtOAc extract of an endophytic fungi isolated from Lycium intricatum Strain: 9907
Roles Classification
Biological Role:
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)
microdiplactone (CHEBI:68286) has role metabolite (CHEBI:25212)
microdiplactone (CHEBI:68286) is a ε-lactone (CHEBI:50239)
IUPAC Name 
3,4-dipropyl-1,4-oxazepan-7-one
Registry NumbersSources
Reaxys:21389525Reaxys
Citations