Flow object JSON
{
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"prefLabel": [
{
"@value": "Piroctone olamine",
"@language": "en",
"@lang": "en",
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}
}
],
"altLabel": [
{
"@value": "1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt",
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},
{
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],
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},
{
"@value": "1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one - 2-aminoethanol (1:1)",
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}
},
{
"@value": "2(1H)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd. with 2-aminoethanol (1:1)",
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],
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}
},
{
"@value": "2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate",
"@language": "en",
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}
},
{
"@value": "Ethanol, 2-amino-, compd. with 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridinone (1:1)",
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],
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}
},
{
"@value": "Octopirox",
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],
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}
},
{
"@value": "Octopyrox",
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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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},
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{
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{
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