Flow object JSON
{
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"prefLabel": [
{
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],
"altLabel": [
{
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],
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}
},
{
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],
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}
},
{
"@value": "5-Phenyl-3-methylpentanol",
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],
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}
},
{
"@value": "Benzenepentanol, γ-methyl-",
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],
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}
},
{
"@value": "Mefrosol",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phenoxanol",
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],
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}
},
{
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],
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}
}
],
"properties": {
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"@value": [
"C12H18O"
],
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},
"rdfs:label": "Molecular formula",
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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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},
"https://w3id.org/chemrof/smiles_string": {
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"rdfs:label": "SMILES",
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{
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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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],
"attested_by": {
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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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],
"attested_by": {
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},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
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"@value": [
178.135765
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{
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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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}