Flow object JSON
{
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"prefLabel": [
{
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"@language": "en",
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}
}
],
"altLabel": [
{
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"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3-Dihydroxyisopropylamine",
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"@lang": "en",
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],
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}
},
{
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"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1,3-Propanediol, 2-amino-",
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"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Amino-1,3-dihydroxypropane",
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"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Aminoglycerol",
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"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Aminopropane-1,3-diol",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Hydroxy-1-(hydroxymethyl)ethylamine",
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"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Serinol",
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
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"@value": [
"C3H9NO2"
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"attested_by": {
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},
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{
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{
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
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},
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{
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{
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],
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},
"https://w3id.org/chemrof/inchi2d_string": {
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"rdfs:label": "InChI",
"@value": [
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{
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],
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},
"https://w3id.org/chemrof/IUPAC_name": {
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},
"attested_by": {
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},
"https://w3id.org/chemrof/molecular_mass": {
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"rdfs:label": "Molecular mass",
"@value": [
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"provenance": [
{
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{
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},
"https://w3id.org/chemrof/monoisotopic_mass": {
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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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