Flow object JSON
{
"flow_object_id": "fo-052b2b5e94d48f53",
"prefLabel": [
{
"@value": "2,3,4-trichlorophenol",
"@language": "en",
"@lang": "en",
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],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Phenol, 2,3,4-trichloro-",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H3Cl3O"
],
"attested_by": {
"C6H3Cl3O": [
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"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
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"prov:hadPrimarySource": [
"CID:27582"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1ccc(Cl)c(Cl)c1Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"HSQFVBWFPBKHEB-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:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1ccc(Cl)c(Cl)c1Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Oc1ccc(Cl)c(Cl)c1Cl"
],
"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/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H"
],
"provenance": [
{
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]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
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"prov:hadPrimarySource": [
"Oc1ccc(Cl)c(Cl)c1Cl"
]
}
],
"attested_by": {
"InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H": [
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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-trichlorophenol"
],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2,3,4-trichlorophenol"
]
},
"attested_by": {
"2,3,4-trichlorophenol": [
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]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
197.448
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=C(C(=C1O)Cl)Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Oc1ccc(Cl)c(Cl)c1Cl"
]
}
],
"attested_by": {
"197.448": [
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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": [
195.924948
],
"provenance": [
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC(=C(C(=C1O)Cl)Cl)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=J127.123G",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.identifiers[15950-66-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.036.424",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.identifiers[15950-66-0]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.042.434",
"provenance": {
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.identifiers[15950-66-0]"
}
},
{
"@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0588",
"provenance": {
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"prov:wasDerivedFrom": "pubchem.identifiers[15950-66-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=15950-66-0",
"provenance": {
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=25167-82-2",
"provenance": {
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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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},
{
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}
],
"created_from": {
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"seed_uuid": "08e5a78b-4454-402f-8555-79c7c0d01a16",
"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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],
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},
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],
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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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]
}
