Flow object JSON
{
"flow_object_id": "fo-4c501e378290c372",
"prefLabel": [
{
"@value": "Kieserite",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Kieserite (Mg(SO4).H2O)",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14567-64-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=14567-64-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Wathlingite",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"H4MgO5S"
],
"attested_by": {
"H4MgO5S": [
"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"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O.OS(=O)(=O)O.[Mg]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"KGMNHOOXYBNYQT-UHFFFAOYSA-N"
],
"attested_by": {
"KGMNHOOXYBNYQT-UHFFFAOYSA-N": [
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"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
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],
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},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O.OS(=O)(=O)O.[Mg]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"O.OS(=O)(=O)O.[Mg]"
],
"attested_by": {
"O.OS(=O)(=O)O.[Mg]": [
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"rdkit_post_consensus"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O.OS(=O)(=O)O.[Mg]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/Mg.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2"
],
"attested_by": {
"InChI=1S/Mg.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2": [
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},
"rdfs:label": "InChI",
"provenance": [
{
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],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
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"prov:hadPrimarySource": [
"O.OS(=O)(=O)O.[Mg]"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
140.399
],
"provenance": [
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O.OS(=O)(=O)O.[Mg]"
]
},
{
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"prov:hadPrimarySource": [
"O.OS(=O)(=O)O.[Mg]"
]
}
],
"attested_by": {
"140.399": [
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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": [
139.962986
],
"provenance": [
{
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]
},
{
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"prov:hadPrimarySource": [
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]
}
],
"attested_by": {
"139.962986": [
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"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=10034-99-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:45051624;CAS:14567-64-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[14567-64-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=14168-73-1",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"CID:45051624;CAS:14567-64-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[14567-64-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=14567-64-7",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "pubchem.identifiers[14567-64-7]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=22189-08-8",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"CID:45051624;CAS:14567-64-7"
],
"prov:wasDerivedFrom": "pubchem.identifiers[14567-64-7]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/45051624",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:45051624;CAS:14567-64-7"
],
"prov:wasDerivedFrom": "pubchem.by_cas[14567-64-7]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "fe0acd60-3ddc-11dd-aab9-0050c2490048",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_neutral",
"reason": "",
"types": [
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],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"14567-64-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=14567-64-7"
],
"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/MolecularComplex"
]
}
