Flow object JSON
{
"flow_object_id": "fo-c14fafff51efcc08",
"prefLabel": [
{
"@value": "1,2,4-trichloro-5-phenylbenzene",
"@language": "en",
"@lang": "en",
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C12H7Cl3"
],
"attested_by": {
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"enrich_references.pubchem_semantic",
"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": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"VGVIKVCCUATMNG-UHFFFAOYSA-N"
],
"attested_by": {
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},
"rdfs:label": "InChIKey",
"provenance": [
{
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],
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},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
],
"provenance": [
{
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"prov:hadPrimarySource": [
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]
},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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]
}
],
"attested_by": {
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"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C12H7Cl3/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h1-7H"
],
"provenance": [
{
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]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
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"prov:hadPrimarySource": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
]
}
],
"attested_by": {
"InChI=1S/C12H7Cl3/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h1-7H": [
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"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
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"rdfs:label": "IUPAC name",
"@value": [
"1,2,4-trichloro-5-phenylbenzene"
],
"provenance": {
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]
},
"attested_by": {
"1,2,4-trichloro-5-phenylbenzene": [
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]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
257.547
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C(C=C1)C2=CC(=C(C=C2Cl)Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
]
}
],
"attested_by": {
"257.547": [
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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": [
255.961333
],
"provenance": [
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C(C=C1)C2=CC(=C(C=C2Cl)Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Clc1cc(Cl)c(-c2ccccc2)cc1Cl"
]
}
],
"attested_by": {
"255.961333": [
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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=J150.406A",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:27514;CAS:15862-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[15862-07-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.158.819",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.identifiers[15862-07-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=15862-07-4",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID0073405",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.identifiers[15862-07-4]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V66M3S37YW",
"provenance": {
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"prov:wasDerivedFrom": "pubchem.identifiers[15862-07-4]"
}
},
{
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"provenance": {
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"prov:wasDerivedFrom": "pubchem.by_cas[15862-07-4]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14127",
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},
{
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],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "32e96908-7a25-4e39-9965-048836f83570",
"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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],
"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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],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
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]
}
