Flow object JSON
{
"flow_object_id": "fo-c05d619c95d173a6",
"prefLabel": [
{
"@value": "Trichloro(2,4,4-trimethylpentyl)silane",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Silane, trichloro(2,4,4-trimethylpentyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
"CAS:18379-25-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=18379-25-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C8H17Cl3Si"
],
"attested_by": {
"C8H17Cl3Si": [
"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"
},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"XEPLIPFTDXHUHB-UHFFFAOYSA-N"
],
"attested_by": {
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]
},
"rdfs:label": "InChIKey",
"provenance": [
{
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
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"prov:hadPrimarySource": [
"CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl"
],
"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/C8H17Cl3Si/c1-7(5-8(2,3)4)6-12(9,10)11/h7H,5-6H2,1-4H3"
],
"provenance": [
{
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]
},
{
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"prov:hadPrimarySource": [
"CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl"
]
}
],
"attested_by": {
"InChI=1S/C8H17Cl3Si/c1-7(5-8(2,3)4)6-12(9,10)11/h7H,5-6H2,1-4H3": [
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]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Trichloro(2,4,4-trimethylpentyl)silane"
],
"provenance": {
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]
},
"attested_by": {
"Trichloro(2,4,4-trimethylpentyl)silane": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
247.669
],
"provenance": [
{
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"prov:hadPrimarySource": [
"CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl"
]
},
{
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"prov:hadPrimarySource": [
"CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl"
]
}
],
"attested_by": {
"247.669": [
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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": [
246.01651
],
"provenance": [
{
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]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
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"prov:hadPrimarySource": [
"CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl"
]
}
],
"attested_by": {
"246.01651": [
"rdkit_post_consensus",
"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=J266.147K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:86714;CAS:18379-25-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[18379-25-4]"
}
},
{
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],
"prov:wasDerivedFrom": "pubchem.identifiers[18379-25-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=18379-25-4",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"18379-25-4"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID5044861",
"provenance": {
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},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/267H51P23W",
"provenance": {
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}
},
{
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},
{
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],
"created_from": {
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"seed_uuid": "0fdd0fdf-9f67-4578-ba8b-110f8bc8cf36",
"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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"http://semanticscience.org/resource/CHEMINF_000447": {
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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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]
}
