ECTO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_83598 http://purl.obolibrary.org/obo/CHEBI_83598 https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_83598 Loading
Preferred name	2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
Synonyms	2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
Definitions	A monocarboxylic acid that is propanoic acid substituted by a 4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy group at position 2.

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	C1(=CC=C(N=C1)OC2=CC=C(C=C2)OC(C(O)=O)C)C(F)(F)F
obo_purl:charge	0
obo_purl:inchikey	YUVKUEAFAVKILW-UHFFFAOYSA-N
obo_purl:IAO_0000115	A monocarboxylic acid that is propanoic acid substituted by a 4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy group at position 2.
skos:notation	CHEBI:83598
oboinowl_gen:hasExactSynonym	2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
obo_purl:mass	327.256
obo_purl:inchi	InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)
obo_purl:formula	C15H12F3NO4
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id	CHEBI:83598
rdfs:label	2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
obo_purl:monoisotopicmass	327.07184
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_25384 http://purl.obolibrary.org/obo/CHEBI_26421 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_37143

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