Flow object JSON
{
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{
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"altLabel": [
{
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},
{
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{
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},
{
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},
{
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},
{
"@value": "Benzene, 1,2-[1,2-ethanediylbis(oxy)]-",
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},
{
"@value": "Ethylene o-phenylene dioxide",
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}
},
{
"@value": "Pyrocatechol ethylene ether",
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}
],
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{
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},
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},
"https://w3id.org/chemrof/molecular_mass": {
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"@value": [
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{
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{
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{
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