Flow object JSON
{
"flow_object_id": "fo-c7ffc5305edff94b",
"prefLabel": [
{
"@value": "3,3-dimethoxy-8,8,9,9-/ntetramethyl-2-oxa-7-thia-3,8-disiladecane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "[3-[[(1,1-Dimethylethyl)dimethylsilyl]thio]propyl]trimethylsilane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:1128026-41-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1128026-41-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Silane, [3-[[(1,1-dimethylethyl)dimethylsilyl]thio]propyl]trimethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"CAS:1128026-41-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=1128026-41-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C12H30SSi2"
],
"attested_by": {
"C12H30SSi2": [
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:89888895"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)[Si](C)(C)SCCC[Si](C)(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"JRTQYRFVLFONQQ-UHFFFAOYSA-N"
],
"attested_by": {
"JRTQYRFVLFONQQ-UHFFFAOYSA-N": [
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
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"prov:hadPrimarySource": [
"CID:89888895"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)[Si](C)(C)SCCC[Si](C)(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)(C)[Si](C)(C)SCCC[Si](C)(C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Silane, [3-[[(1,1-dimethylethyl)dimethylsilyl]thio]propyl]trimethyl-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)[Si](C)(C)SCCC[Si](C)(C)C"
]
}
],
"attested_by": {
"CC(C)(C)[Si](C)(C)SCCC[Si](C)(C)C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C12H30SSi2/c1-12(2,3)15(7,8)13-10-9-11-14(4,5)6/h9-11H2,1-8H3"
],
"provenance": [
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Silane, [3-[[(1,1-dimethylethyl)dimethylsilyl]thio]propyl]trimethyl-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)[Si](C)(C)SCCC[Si](C)(C)C"
]
}
],
"attested_by": {
"InChI=1S/C12H30SSi2/c1-12(2,3)15(7,8)13-10-9-11-14(4,5)6/h9-11H2,1-8H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Silane, [3-[[(1,1-dimethylethyl)dimethylsilyl]thio]propyl]trimethyl-"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Silane, [3-[[(1,1-dimethylethyl)dimethylsilyl]thio]propyl]trimethyl-"
]
},
"attested_by": {
"Silane, [3-[[(1,1-dimethylethyl)dimethylsilyl]thio]propyl]trimethyl-": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
262.611,
310.608
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)[Si](C)(C)SCCC[Si](OC)(OC)OC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)[Si](C)(C)SCCC[Si](C)(C)C"
]
}
],
"attested_by": {
"310.608": [
"rdkit_pre_consensus"
],
"262.611": [
"rdkit_post_consensus"
]
},
"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": [
262.160675,
310.145419
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)[Si](C)(C)SCCC[Si](OC)(OC)OC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)[Si](C)(C)SCCC[Si](C)(C)C"
]
}
],
"attested_by": {
"310.145419": [
"rdkit_pre_consensus"
],
"262.160675": [
"rdkit_post_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.107.107",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:89888895;CAS:1128026-41-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[1128026-41-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=1128026-41-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"1128026-41-4"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID801009958",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.identifiers[1128026-41-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/89888895",
"provenance": {
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"CID:89888895;CAS:1128026-41-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[1128026-41-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q83006146",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "pubchem.identifiers[1128026-41-4]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "11ad1e9a-8066-4951-9a88-a3ce0cebb2fd",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
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"@value": [
"1128026-41-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=1128026-41-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
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}
],
"provenance": {
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],
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}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"700-372-0"
],
"rdfs:seeAlso": [
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],
"provenance": {
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],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}