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ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_6798
http://purl.obolibrary.org/obo/CHEBI_6798
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_6798
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Preferred name
metazachlor
Synonyms
2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide
Definitions
An organochlorine compound that is 2-chloroacetamide substituted by a 2,6-dimethylphenyl and a (1H-pyrazol-1-ylmethyl) group at the nitrogen atom.
Raw data
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_24527
http://purl.obolibrary.org/obo/CHEBI_35703
http://purl.obolibrary.org/obo/CHEBI_78298
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl
obo_purl:charge
0
obo_purl:inchikey
STEPQTYSZVCJPV-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_24527
http://purl.obolibrary.org/obo/CHEBI_35703
http://purl.obolibrary.org/obo/CHEBI_78298
oboinowl_gen:hasDbXref
KEGG:C10948
CAS:67129-08-2
PMID:24630449
PMID:24646672
PPDB:450
Reaxys:621550
Pesticides:metazachlor
PMID:24500566
obo_purl:IAO_0000115
An organochlorine compound that is 2-chloroacetamide substituted by a 2,6-dimethylphenyl and a (1H-pyrazol-1-ylmethyl) group at the nitrogen atom.
skos:notation
CHEBI:6798
oboinowl_gen:hasExactSynonym
2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide
obo_purl:mass
277.74900
obo_purl:inchi
InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3
obo_purl:formula
C14H16ClN3O
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id
CHEBI:6798
rdfs:label
metazachlor
obo_purl:monoisotopicmass
277.09819
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_36683
http://purl.obolibrary.org/obo/CHEBI_62733
http://purl.obolibrary.org/obo/CHEBI_26410
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