Flow object JSON
{
"flow_object_id": "fo-f634d31e8c8d3a6d",
"prefLabel": [
{
"@value": "Quizalofop",
"@language": "en",
"@lang": "en",
"provenance": {
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"CAS:76578-12-6",
"EF 3.1"
],
"prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
}
}
],
"altLabel": [
{
"@value": "(+-)-2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoic acid",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_81943"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "(+-)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_81943"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "(RS)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_81943"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "2-[4-[(6-Chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid",
"@language": "en",
"@lang": "en",
"provenance": {
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"CAS:76578-12-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=76578-12-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pilot",
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"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
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"CAS:76578-12-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=76578-12-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Propanoic Acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1"
],
"prov:wasDerivedFrom": "original name retained as altLabel"
}
},
{
"@value": "rac-(2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_81943"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "rac-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_81943"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Xylafop",
"@language": "en",
"@lang": "en",
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"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C17H13ClN2O4"
],
"attested_by": {
"C17H13ClN2O4": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
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"prov:hadPrimarySource": [
"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
344.75,
344.754
],
"attested_by": {
"344.75": [
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"344.754": [
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},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
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},
{
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}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
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"@value": [
344.05638,
344.056385
],
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},
"rdfs:label": "Monoisotopic mass",
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"provenance": [
{
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
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"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
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},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"(+-)-2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoic acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
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"(+-)-2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoic acid"
]
},
"attested_by": {
"(+-)-2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoic acid": [
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]
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O"
],
"provenance": [
{
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},
{
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}
],
"attested_by": {
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}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)"
],
"provenance": [
{
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]
},
{
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}
],
"attested_by": {
"InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)": [
"opsin_iupac",
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]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"rdfs:label": "InChIKey",
"@value": [
"ABOOPXYCKNFDNJ-UHFFFAOYSA-N"
],
"provenance": {
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"CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O"
]
},
"attested_by": {
"ABOOPXYCKNFDNJ-UHFFFAOYSA-N": [
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]
}
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=76578-12-6",
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}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81943",
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},
{
"@id": "https://www.genome.jp/entry/C18763",
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},
{
"@id": "pesticides:quizalofop",
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},
{
"@id": "reaxys:7720680",
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}
],
"created_from": {
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"seed_source": "EF 3.1",
"semantic_typing": {
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"reason": "",
"types": [
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],
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}
},
"classifications": {
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"@value": [
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],
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],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
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],
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},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
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}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A racemate comprising equimolar amounts of quizalofop-P of and (S)-quizalofop. Quizalofop is used (commonly as the corresponding ethyl ester, known as quizalofop-ethyl) as a selective post-emergence herbicide against annual and winter-hard grasses. The active isomer is the R enantiomer, which is known as quizalofop-P.",
"@language": "en",
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}
],
"@type": [
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],
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24527",
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},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
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}
]
}