Flow object JSON
{
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"prefLabel": [
{
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"@language": "en",
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}
}
],
"altLabel": [
{
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(p-Bromophenyl)methanol",
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],
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}
},
{
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "1-Bromo-4-(hydroxymethyl)benzene",
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"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Bromobenzenemethanol",
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"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4-Hydroxymethyl-1-bromobenzene",
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"provenance": {
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],
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}
},
{
"@value": "Benzenemethanol, 4-bromo-",
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],
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}
},
{
"@value": "Benzyl alcohol, p-bromo-",
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],
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}
},
{
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],
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}
}
],
"properties": {
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"@value": [
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],
"attested_by": {
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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": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
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],
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"rdfs:label": "InChIKey",
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{
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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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"provenance": [
{
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},
{
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],
"attested_by": {
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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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],
"attested_by": {
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},
"https://w3id.org/chemrof/IUPAC_name": {
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"@value": [
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],
"provenance": {
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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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}