Flow object JSON
{
"flow_object_id": "fo-9fe9bbad9ca44a6b",
"prefLabel": [
{
"@value": "3-me-4'-no2-diphenyl Ether",
"@language": "en",
"@lang": "en",
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],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H11NO3"
],
"attested_by": {
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]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
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],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
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"prov:hadPrimarySource": [
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}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"DLKBRTKDSDXWNA-UHFFFAOYSA-N"
],
"attested_by": {
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]
},
"rdfs:label": "InChIKey",
"provenance": [
{
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],
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},
{
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]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
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"@value": [
"CC1=CC(=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]"
],
"attested_by": {
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]
},
"rdfs:label": "SMILES",
"provenance": [
{
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],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
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"prov:hadPrimarySource": [
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]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C13H11NO3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9H,1H3"
],
"attested_by": {
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]
},
"rdfs:label": "InChI",
"provenance": [
{
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],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
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"prov:hadPrimarySource": [
"CC1=CC(=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"1-methyl-3-(4-nitrophenoxy)benzene"
],
"attested_by": {
"1-methyl-3-(4-nitrophenoxy)benzene": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16816"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
229.235
],
"provenance": [
{
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"prov:hadPrimarySource": [
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]
},
{
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"prov:hadPrimarySource": [
"CC1=CC(=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]"
]
}
],
"attested_by": {
"229.235": [
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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": [
229.073893
],
"provenance": [
{
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},
{
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"prov:hadPrimarySource": [
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]
}
],
"attested_by": {
"229.073893": [
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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=J7.388A",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16816;CAS:2303-25-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2303-25-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2303-25-5",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID40177583",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "pubchem.identifiers[2303-25-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16816",
"provenance": {
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"prov:wasDerivedFrom": "pubchem.by_cas[2303-25-5]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2270118",
"provenance": {
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"prov:wasDerivedFrom": "pubchem.identifiers[2303-25-5]"
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},
{
"@id": "https://www.wikidata.org/wiki/Q83047904",
"provenance": {
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}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0a10b734-1282-4d88-9531-559d65a7b9f1",
"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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}
],
"provenance": {
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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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]
}
