Flow object JSON
{
"flow_object_id": "fo-dd76aefc5af8e420",
"prefLabel": [
{
"@value": "1-isocyanato-3-methylbenzene",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "3-Methylphenyl isocyanate",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=621-29-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Tolyl isocyanate",
"@language": "en",
"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzene, 1-isocyanato-3-methyl-",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=621-29-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isocyanic acid, m-tolyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"CAS:621-29-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=621-29-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "m-Isocyanatotoluene",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "m-Methylphenyl isocyanate",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "m-Tolyl isocyanate",
"@language": "en",
"@lang": "en",
"provenance": {
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"https://commonchemistry.cas.org/detail?cas_rn=621-29-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C8H7NO"
],
"attested_by": {
"C8H7NO": [
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"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cccc(N=C=O)c1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"CPPGZWWUPFWALU-UHFFFAOYSA-N"
],
"attested_by": {
"CPPGZWWUPFWALU-UHFFFAOYSA-N": [
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},
"rdfs:label": "InChIKey",
"provenance": [
{
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],
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},
{
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"prov:hadPrimarySource": [
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]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Cc1cccc(N=C=O)c1"
],
"provenance": [
{
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]
},
{
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]
}
],
"attested_by": {
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}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3"
],
"provenance": [
{
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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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],
"provenance": {
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]
},
"attested_by": {
"1-isocyanato-3-methylbenzene": [
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]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
133.15
],
"provenance": [
{
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"prov:hadPrimarySource": [
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]
},
{
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"prov:hadPrimarySource": [
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]
}
],
"attested_by": {
"133.15": [
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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": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
133.052764
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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"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.637C",
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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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],
"created_from": {
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"semantic_typing": {
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],
"provenance": {
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}
},
"classifications": {
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},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
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]
}
