Flow object JSON
{
"flow_object_id": "fo-73e1fc7175c5aaa5",
"prefLabel": [
{
"@value": "2-Chloro-1,1,1,3,3,3-hexafluoropropane",
"@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": "1,1,1,3,3,3-Hexafluoro-2-chloropropane",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:431-87-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=431-87-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Chloro-2-hydroperfluoropropane",
"@language": "en",
"@lang": "en",
"provenance": {
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"CAS:431-87-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=431-87-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "CFC 226da",
"@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=431-87-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "HCFC 226da",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "HCFC-226",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "name the fix replaced, retained as altLabel"
}
},
{
"@value": "Propane, 2-chloro-1,1,1,3,3,3-hexafluoro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:431-87-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=431-87-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C3HClF6"
],
"attested_by": {
"C3HClF6": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:9894"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)(F)C(Cl)C(F)(F)F"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BKWAVXQSZLEURV-UHFFFAOYSA-N"
],
"attested_by": {
"BKWAVXQSZLEURV-UHFFFAOYSA-N": [
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"rdkit_post_consensus"
]
},
"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)(F)C(Cl)C(F)(F)F"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"FC(F)(F)C(Cl)C(F)(F)F"
],
"provenance": [
{
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]
},
{
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"prov:hadPrimarySource": [
"FC(F)(F)C(Cl)C(F)(F)F"
]
}
],
"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/C3HClF6/c4-1(2(5,6)7)3(8,9)10/h1H"
],
"provenance": [
{
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]
},
{
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"prov:hadPrimarySource": [
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]
}
],
"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-Chloro-1,1,1,3,3,3-hexafluoropropane"
],
"provenance": {
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"prov:hadPrimarySource": [
"2-Chloro-1,1,1,3,3,3-hexafluoropropane"
]
},
"attested_by": {
"2-Chloro-1,1,1,3,3,3-hexafluoropropane": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
186.482
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(C(F)(F)F)(C(F)(F)F)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"FC(F)(F)C(Cl)C(F)(F)F"
]
}
],
"attested_by": {
"186.482": [
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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": [
185.967097
],
"provenance": [
{
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"prov:hadPrimarySource": [
"C(C(F)(F)F)(C(F)(F)F)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
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"prov:hadPrimarySource": [
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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=J50.728H",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.identifiers[431-87-8]"
}
},
{
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}
},
{
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}
},
{
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}
},
{
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}
},
{
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],
"prov:wasDerivedFrom": "pubchem.by_cas[431-87-8]"
}
},
{
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],
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}
],
"created_from": {
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"seed_uuid": "0d79779e-6556-11dd-ad8b-0800200c9a66",
"seed_source": "EF 3.1",
"semantic_typing": {
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"reason": "",
"types": [
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],
"provenance": {
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"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
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],
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],
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},
"http://semanticscience.org/resource/CHEMINF_000447": {
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],
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}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
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]
}
