Flow object JSON
{
"flow_object_id": "fo-538dde5b980b4a81",
"prefLabel": [
{
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"@language": "en",
"@lang": "en",
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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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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Shivena 10",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "VeoVa 10",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Versatic 10 Acid, ethenyl ester",
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"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
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"@value": [
"C12H22O2"
],
"attested_by": {
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},
"rdfs:label": "Molecular formula",
"provenance": [
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},
{
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"prov:hadPrimarySource": [
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}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
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"@value": [
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{
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},
"https://w3id.org/chemrof/smiles_string": {
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"rdfs:label": "SMILES",
"@value": [
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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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],
"attested_by": {
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},
"https://w3id.org/chemrof/IUPAC_name": {
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"rdfs:label": "IUPAC name",
"@value": [
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],
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]
},
"attested_by": {
"Vinyl Neodecanoate": [
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]
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J248.965A",
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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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}