Flow object JSON
{
"flow_object_id": "fo-7c15590009582d86",
"prefLabel": [
{
"@value": "Diphenyltin",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "SnH2Ph2",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "[SnH2Ph2]",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "diphenylstannane",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C12H12Sn"
],
"attested_by": {
"C12H12Sn": [
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"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[H][Sn]([H])([c]1ccccc1)[c]1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"[H][Sn]([H])([c]1ccccc1)[c]1ccccc1"
],
"attested_by": {
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]
},
"rdfs:label": "SMILES",
"provenance": [
{
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[H][Sn]([H])([c]1ccccc1)[c]1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/2C6H5.Sn.2H/c2*1-2-4-6-5-3-1;;;/h2*1-5H;;;"
],
"attested_by": {
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]
},
"rdfs:label": "InChI",
"provenance": [
{
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
},
{
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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": [
"ZKCZXVODRKOWIY-UHFFFAOYSA-N"
],
"attested_by": {
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]
},
"rdfs:label": "InChIKey",
"provenance": [
{
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
274.939
],
"attested_by": {
"274.939": [
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]
},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
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"@value": [
275.996095,
275.9961
],
"attested_by": {
"275.9961": [
"enrich_references.chebi_semantic"
],
"275.996095": [
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"rdkit_pre_consensus"
]
},
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[H][Sn]([H])([c]1ccccc1)[c]1ccccc1"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"[H][Sn]([H])([c]1ccccc1)[c]1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
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]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
}
},
"references": [
{
"@id": "beilstein:4933262",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "gmelin:241391",
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],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1011-95-6",
"provenance": {
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}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:23838",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "umbbd.compound:c0697",
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],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "8892f038-c4cf-4166-adeb-df61c4e32af0",
"seed_source": "ecoinvent-3.12",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
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],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@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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],
"prov:wasDerivedFrom": "cas_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
