Flow object JSON
{
"flow_object_id": "fo-0402b9ddf6b57ed0",
"prefLabel": [
{
"@value": "2,3,4,5,6-pentafluoroaniline",
"@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": "1-Amino-2,3,4,5,6-pentafluorobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
"CAS:771-60-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=771-60-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2,3,4,5,6-Pentafluorobenzenamine",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"CAS:771-60-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=771-60-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aminopentafluorobenzene",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=771-60-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aniline, 2,3,4,5,6-pentafluoro-",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"CAS:771-60-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=771-60-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzenamine, 2,3,4,5,6-pentafluoro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:771-60-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=771-60-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pentafluoroaniline",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"CAS:771-60-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=771-60-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Pentafluorophenylamine",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=771-60-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H2F5N"
],
"attested_by": {
"C6H2F5N": [
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"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
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"prov:hadPrimarySource": [
"CID:13040"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Nc1c(F)c(F)c(F)c(F)c1F"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"NOXLGCOSAFGMDV-UHFFFAOYSA-N"
],
"attested_by": {
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]
},
"rdfs:label": "InChIKey",
"provenance": [
{
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],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
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"prov:hadPrimarySource": [
"Nc1c(F)c(F)c(F)c(F)c1F"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Nc1c(F)c(F)c(F)c(F)c1F"
],
"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/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2"
],
"provenance": [
{
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]
},
{
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"prov:hadPrimarySource": [
"Nc1c(F)c(F)c(F)c(F)c1F"
]
}
],
"attested_by": {
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"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"2,3,4,5,6-pentafluoroaniline"
],
"provenance": {
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"prov:hadPrimarySource": [
"2,3,4,5,6-pentafluoroaniline"
]
},
"attested_by": {
"2,3,4,5,6-pentafluoroaniline": [
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]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
183.079
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1(=C(C(=C(C(=C1F)F)F)F)F)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
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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": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
183.01074
],
"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=J1.734E",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.identifiers[771-60-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.011.122",
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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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"seed_source": "EF 3.1",
"semantic_typing": {
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"types": [
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],
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}
}
},
"classifications": {
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],
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],
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],
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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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]
}
