Flow object JSON
{
"flow_object_id": "fo-91ddf2eeceeccbec",
"prefLabel": [
{
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"@language": "en",
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],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
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"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
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],
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}
},
{
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,6-Dinitro-1,3-dichlorobenzene",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzene, 1,5-dichloro-2,4-dinitro-",
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"@lang": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H2Cl2N2O4"
],
"attested_by": {
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"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
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"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
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"prov:hadPrimarySource": [
"O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZPXDNSYFDIHPOJ-UHFFFAOYSA-N"
],
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},
"rdfs:label": "InChIKey",
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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": [
"O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl"
],
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{
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},
{
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],
"attested_by": {
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}
},
"https://w3id.org/chemrof/inchi2d_string": {
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"rdfs:label": "InChI",
"@value": [
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],
"provenance": [
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},
{
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],
"attested_by": {
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}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
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],
"provenance": {
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},
"attested_by": {
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}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
236.998
],
"provenance": [
{
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"prov:hadPrimarySource": [
"C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]"
]
},
{
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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"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
235.939162
],
"provenance": [
{
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},
{
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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": [
{
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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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"parent_flow_object_id": null,
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"@type": [
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}
