Flow object JSON
{
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"prefLabel": [
{
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"@language": "en",
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],
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}
}
],
"altLabel": [
{
"@value": "Bicyclo[2.2.1]hept-2-ene, heptachloro-",
"@language": "en",
"@lang": "en",
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],
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}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C7H3Cl7"
],
"attested_by": {
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"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
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{
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],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ClC1=C(Cl)C2(Cl)CC1(Cl)C(Cl)C2(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BJNDSDWXVRYXKM-UHFFFAOYSA-N",
"PXTADLCAVHRXCA-UHFFFAOYSA-N",
"YGCGNMLFVCPMEZ-UHFFFAOYSA-N"
],
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"YGCGNMLFVCPMEZ-UHFFFAOYSA-N": [
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},
"rdfs:label": "InChIKey",
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{
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},
{
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"prov:hadPrimarySource": [
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]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
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"rdfs:label": "SMILES",
"@value": [
"ClC1=C(Cl)C2(Cl)CC1(Cl)C(Cl)C2(Cl)Cl"
],
"provenance": [
{
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"prov:hadPrimarySource": [
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]
},
{
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"prov:hadPrimarySource": [
"ClC1=C(Cl)C2(Cl)CC1(Cl)C(Cl)C2(Cl)Cl"
]
}
],
"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/C7H3Cl7/c8-2-3(9)6(12)1-5(2,11)4(10)7(6,13)14/h4H,1H2"
],
"provenance": [
{
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},
{
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"prov:hadPrimarySource": [
"ClC1=C(Cl)C2(Cl)CC1(Cl)C(Cl)C2(Cl)Cl"
]
}
],
"attested_by": {
"InChI=1S/C7H3Cl7/c8-2-3(9)6(12)1-5(2,11)4(10)7(6,13)14/h4H,1H2": [
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]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Heptachlorobicyclo[2.2.1]hept-2-ene"
],
"provenance": {
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]
},
"attested_by": {
"Heptachlorobicyclo[2.2.1]hept-2-ene": [
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]
}
}
},
"references": [
{
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"provenance": {
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],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID40951345",
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"prov:wasDerivedFrom": "pubchem.identifiers[28680-45-7]"
}
},
{
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"prov:wasDerivedFrom": "pubchem.by_cas[28680-45-7]"
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},
{
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},
{
"@id": "https://www.wikidata.org/wiki/Q82929625",
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}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "2395d68d-878d-41d3-b112-a48649e5aeb2",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
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],
"provenance": {
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"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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],
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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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]
}