Flow object JSON
{
"flow_object_id": "fo-98742a61ceb42c9c",
"prefLabel": [
{
"@value": "2,3,4,5-tetrachloroaniline",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "2,3,4,5-Tetrachlorobenzenamine",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:634-83-3",
"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aniline, 2,3,4,5-tetrachloro-",
"@language": "en",
"@lang": "en",
"provenance": {
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"CAS:634-83-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=634-83-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenamine, 2,3,4,5-tetrachloro-",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"CAS:634-83-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=634-83-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H3Cl4N"
],
"attested_by": {
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]
},
"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": [
"Nc1cc(Cl)c(Cl)c(Cl)c1Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GBKZRUCVLTWAML-UHFFFAOYSA-N"
],
"attested_by": {
"GBKZRUCVLTWAML-UHFFFAOYSA-N": [
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"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
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],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1cc(Cl)c(Cl)c(Cl)c1Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Nc1cc(Cl)c(Cl)c(Cl)c1Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
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"prov:hadPrimarySource": [
"2,3,4,5-tetrachloroaniline"
]
},
{
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"prov:hadPrimarySource": [
"Nc1cc(Cl)c(Cl)c(Cl)c1Cl"
]
}
],
"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/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2"
],
"provenance": [
{
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]
},
{
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"prov:hadPrimarySource": [
"Nc1cc(Cl)c(Cl)c(Cl)c1Cl"
]
}
],
"attested_by": {
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]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2,3,4,5-tetrachloroaniline"
],
"provenance": {
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"prov:hadPrimarySource": [
"2,3,4,5-tetrachloroaniline"
]
},
"attested_by": {
"2,3,4,5-tetrachloroaniline": [
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]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
230.909
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1cc(Cl)c(Cl)c(Cl)c1Cl"
]
}
],
"attested_by": {
"230.909": [
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"rdkit_pre_consensus"
]
},
"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": [
228.90196
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1cc(Cl)c(Cl)c(Cl)c1Cl"
]
}
],
"attested_by": {
"228.90196": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"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=J1.712D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:12466;CAS:634-83-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[634-83-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.010.197",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.identifiers[634-83-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=634-83-3",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.identifiers[634-83-3]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID70212810",
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],
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}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/55FY7XX7MH",
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],
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}
},
{
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],
"prov:wasDerivedFrom": "pubchem.by_cas[634-83-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q83088014",
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],
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}
}
],
"created_from": {
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"seed_uuid": "0019b0a3-557c-4903-90fa-aed528bffb3a",
"seed_source": "EF 3.1",
"semantic_typing": {
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"reason": "",
"types": [
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],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
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"@value": [
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],
"rdfs:seeAlso": [
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],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
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}
],
"provenance": {
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],
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}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
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],
"rdfs:seeAlso": [
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],
"provenance": {
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],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
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]
}