Flow object JSON
{
"flow_object_id": "fo-fc0750f8eddfaad1",
"prefLabel": [
{
"@value": "1,2-dibromo-1,1-difluoroethane",
"@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": "1,1-Difluoro-1,2-dibromoethane",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:75-82-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=75-82-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethane, 1,2-dibromo-1,1-difluoro-",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:75-82-1",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=75-82-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Genetron 132b-B2",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=75-82-1"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C2H2Br2F2"
],
"attested_by": {
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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": [
"FC(F)(Br)CBr"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"DPOZWTRVXPUOQW-UHFFFAOYSA-N"
],
"attested_by": {
"DPOZWTRVXPUOQW-UHFFFAOYSA-N": [
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]
},
"rdfs:label": "InChIKey",
"provenance": [
{
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],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)(Br)CBr"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"FC(F)(Br)CBr"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
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"1,2-dibromo-1,1-difluoroethane"
]
},
{
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"prov:hadPrimarySource": [
"FC(F)(Br)CBr"
]
}
],
"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/C2H2Br2F2/c3-1-2(4,5)6/h1H2"
],
"provenance": [
{
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"prov:hadPrimarySource": [
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]
},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)(Br)CBr"
]
}
],
"attested_by": {
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]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"1,2-dibromo-1,1-difluoroethane"
],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1,2-dibromo-1,1-difluoroethane"
]
},
"attested_by": {
"1,2-dibromo-1,1-difluoroethane": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
223.842
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(C(F)(F)Br)Br"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
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"prov:hadPrimarySource": [
"FC(F)(Br)CBr"
]
}
],
"attested_by": {
"223.842": [
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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": [
221.849131
],
"provenance": [
{
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"prov:hadPrimarySource": [
"C(C(F)(F)Br)Br"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)(Br)CBr"
]
}
],
"attested_by": {
"221.849131": [
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"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=J53.952J",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:6402;CAS:75-82-1"
],
"prov:wasDerivedFrom": "pubchem.identifiers[75-82-1]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.000.824",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.identifiers[75-82-1]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=75-82-1",
"provenance": {
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],
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}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID401031505",
"provenance": {
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}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3VZ04838TD",
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}
},
{
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],
"prov:wasDerivedFrom": "pubchem.by_cas[75-82-1]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q26841213",
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],
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}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "08a91e70-3ddc-11dd-9f25-0050c2490048",
"seed_source": "EF 3.1",
"semantic_typing": {
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"reason": "",
"types": [
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],
"provenance": {
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}
}
},
"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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],
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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": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}