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ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_145414
http://purl.obolibrary.org/obo/CHEBI_145414
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_145414
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Preferred name
(S)-diclofop-methyl
Synonyms
methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
Definitions
A methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate that is the (S)-enantiomer of diclofop-methyl.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
C=1(C(=CC(=CC1)Cl)Cl)OC2=CC=C(C=C2)O[C@H](C(OC)=O)C
obo_purl:charge
0
obo_purl:inchikey
BACHBFVBHLGWSL-JTQLQIEISA-N
oboinowl_gen:hasDbXref
CAS:75021-72-6
PMID:26501920
AGR:IND44326446
obo_purl:IAO_0000115
A methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate that is the (S)-enantiomer of diclofop-methyl.
skos:notation
CHEBI:145414
oboinowl_gen:hasExactSynonym
methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
obo_purl:mass
341.180
obo_purl:inchi
InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3/t10-/m0/s1
obo_purl:formula
C16H14Cl2O4
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
obo_purl:is_enantiomer_of
http://purl.obolibrary.org/obo/CHEBI_145413
oboinowl_gen:id
CHEBI:145414
rdfs:label
(S)-diclofop-methyl
obo_purl:monoisotopicmass
340.02691
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_145412
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