Flow object JSON
{
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"prefLabel": [
{
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"@language": "en",
"@lang": "en",
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}
],
"altLabel": [
{
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],
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}
},
{
"@value": "2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid",
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"@lang": "en",
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}
},
{
"@value": "2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoic acid",
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}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H11ClN4O6S"
],
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},
{
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]
},
"https://w3id.org/chemrof/smiles_string": {
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{
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{
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
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},
"rdfs:label": "InChIKey",
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{
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{
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]
},
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"@value": [
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},
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{
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]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
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},
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{
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{
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},
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"attested_by": {
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},
"https://w3id.org/chemrof/IUPAC_name": {
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"attested_by": {
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},
"references": [
{
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{
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},
{
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{
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{
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],
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},
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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": "An N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a (2-carboxyphenyl)sulfonyl group, while the other has been substituted by a 4-chloro-6-methoxypyrimidin-2-yl group. An acetolactate synthase inhibitor, it is used (generally as the corresponding ethyl ester) as a herbicide.",
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{
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]
}