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CHEBI:83509 - metolachlor morpholinone

ChEBI IDCHEBI:83509
ChEBI Namemetolachlor morpholinone
Stars
DefinitionA member of the class of morpholines that is morpholin-3-one substituted by a 2-ethyl-6-methylphenyl group at position 4 and a methyl group at position 5. It is a metabolite of metolachlor.
Last Modified14 November 2014
DownloadsMolfile
FormulaC14H19NO2
Net Charge0
Average Mass233.311
Monoisotopic Mass233.14158
SMILESCCc1cccc(C)c1N1C(=O)COCC1C
InChIInChI=1S/C14H19NO2/c1-4-12-7-5-6-10(2)14(12)15-11(3)8-17-9-13(15)16/h5-7,11H,4,8-9H2,1-3H3
InChIKeyDVBDYPDVNRJKNJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
metolachlor morpholinone (CHEBI:83509) has role marine xenobiotic metabolite (CHEBI:83399)
metolachlor morpholinone (CHEBI:83509) is a morpholines (CHEBI:38785)
metolachlor morpholinone (CHEBI:83509) is a δ-lactam (CHEBI:77727)
IUPAC Name 
4-(2-ethyl-6-methylphenyl)-5-methylmorpholin-3-one
Registry NumbersSources
Reaxys:7709408Reaxys
CAS:120375-14-6ChemIDplus
Citations