Flow object JSON
{
"flow_object_id": "fo-87f9ec810406a1ec",
"prefLabel": [
{
"@value": "Tetrahydro-2-nitroso-2h-1,2-oxazine",
"@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": [
"C4H8N2O2"
],
"attested_by": {
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]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"PREXGTBZMLDXHV-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:hadPrimarySource": [
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]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
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"rdfs:label": "SMILES",
"@value": [
"O=NN1CCCCO1"
],
"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/C4H8N2O2/c7-5-6-3-1-2-4-8-6/h1-4H2"
],
"provenance": [
{
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"prov:hadPrimarySource": [
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]
},
{
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"prov:hadPrimarySource": [
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]
}
],
"attested_by": {
"InChI=1S/C4H8N2O2/c7-5-6-3-1-2-4-8-6/h1-4H2": [
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]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Tetrahydro-2-nitroso-2h-1,2-oxazine"
],
"provenance": {
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]
},
"attested_by": {
"Tetrahydro-2-nitroso-2h-1,2-oxazine": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
116.12
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CCON(C1)N=O"
]
},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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]
}
],
"attested_by": {
"116.12": [
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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": [
116.058577
],
"provenance": [
{
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"prov:hadPrimarySource": [
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]
},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=NN1CCCCO1"
]
}
],
"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=J34.514H",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:94506;CAS:40548-68-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[40548-68-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=40548-68-3",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID1021326",
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],
"prov:wasDerivedFrom": "pubchem.identifiers[40548-68-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PJ3PLE79T8",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.identifiers[40548-68-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/94506",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "pubchem.by_cas[40548-68-3]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL353755",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.identifiers[40548-68-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q81983744",
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],
"prov:wasDerivedFrom": "pubchem.identifiers[40548-68-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "3a253f4f-da63-4392-9354-a4b1ea20ab61",
"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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}
],
"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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]
}
