ECTO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_82017 http://purl.obolibrary.org/obo/CHEBI_82017 https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_82017 Loading
Preferred name	fluroxypyr
Synonyms	[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetic acid
Definitions	An aminopyridine that is pyridin-4-amine substituted by chloro groups at positions 3 and 5, a fluoro group at position 6 and a carboxymethoxy group at position 2.

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	Nc1c(Cl)c(F)nc(OCC(O)=O)c1Cl
obo_purl:charge	0
obo_purl:inchikey	MEFQWPUMEMWTJP-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	CAS:69377-81-7 PPDB:347 PMID:25205153 Reaxys:7136185 PMID:23128745 Wikipedia:Fluroxypyr KEGG:C18858 Pesticides:fluroxypyr PMID:24719846
obo_purl:IAO_0000115	An aminopyridine that is pyridin-4-amine substituted by chloro groups at positions 3 and 5, a fluoro group at position 6 and a carboxymethoxy group at position 2.
skos:notation	CHEBI:82017
oboinowl_gen:hasExactSynonym	[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetic acid
obo_purl:mass	255.03100
obo_purl:inchi	InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)
obo_purl:formula	C7H5Cl2FN2O3
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id	CHEBI:82017
rdfs:label	fluroxypyr
obo_purl:monoisotopicmass	253.96613
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_38207 http://purl.obolibrary.org/obo/CHEBI_25384 http://purl.obolibrary.org/obo/CHEBI_36683 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_37143

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