Flow object JSON
{
"flow_object_id": "fo-8ed618352aaff299",
"prefLabel": [
{
"@value": "Diammonium Bis[carbonato-o]dihydroxyzirconate",
"@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": "Ammonium zirconium carbonate hydroxide ((NH4)2Zr(CO3)2(OH)2)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:68309-95-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=68309-95-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diammonium bis(carbonato)dihydroxyzirconate(2-)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:68309-95-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=68309-95-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Zirconate(2-), bis[carbonato(2-)-O]dihydroxy-, diammonium, (T-4)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:68309-95-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=68309-95-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Zirconate(2-), bis[carbonato(2-)-κO]dihydroxy-, ammonium (1:2), (T-4)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:68309-95-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=68309-95-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Zirconate(2-), bis[carbonato(2-)-κO]dihydroxy-, diammonium, (T-4)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:68309-95-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=68309-95-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Zircosol AC 20",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:68309-95-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=68309-95-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C2H10N2O8Zr"
],
"attested_by": {
"C2H10N2O8Zr": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163210"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(=O)([O-])[O-].C(=O)([O-])[O-].[NH4+].[NH4+].[OH-].[OH-].[Zr+4]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"VTZCXKGZGDSBQC-UHFFFAOYSA-J"
],
"attested_by": {
"VTZCXKGZGDSBQC-UHFFFAOYSA-J": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163210"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(=O)([O-])[O-].C(=O)([O-])[O-].[NH4+].[NH4+].[OH-].[OH-].[Zr+4]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C(=O)([O-])[O-].C(=O)([O-])[O-].[NH4+].[NH4+].[OH-].[OH-].[Zr+4]"
],
"attested_by": {
"C(=O)([O-])[O-].C(=O)([O-])[O-].[NH4+].[NH4+].[OH-].[OH-].[Zr+4]": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163210"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(=O)([O-])[O-].C(=O)([O-])[O-].[NH4+].[NH4+].[OH-].[OH-].[Zr+4]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/2CH2O3.2H3N.2H2O.Zr/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);2*1H3;2*1H2;/q;;;;;;+4/p-4"
],
"attested_by": {
"InChI=1S/2CH2O3.2H3N.2H2O.Zr/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);2*1H3;2*1H2;/q;;;;;;+4/p-4": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163210"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(=O)([O-])[O-].C(=O)([O-])[O-].[NH4+].[NH4+].[OH-].[OH-].[Zr+4]"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"diammonium;zirconium(4+);dicarbonate;dihydroxide",
"diazanium;zirconium(4+);dicarbonate;dihydroxide"
],
"attested_by": {
"diammonium;zirconium(4+);dicarbonate;dihydroxide": [
"enrich_references.pubchem_semantic"
],
"diazanium;zirconium(4+);dicarbonate;dihydroxide": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163210"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
281.332
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(=O)([O-])[O-].C(=O)([O-])[O-].[NH4+].[NH4+].[OH-].[OH-].[Zr+4]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(=O)([O-])[O-].C(=O)([O-])[O-].[NH4+].[NH4+].[OH-].[OH-].[Zr+4]"
]
}
],
"attested_by": {
"281.332": [
"rdkit_post_consensus",
"rdkit_pre_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": [
279.94842
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(=O)([O-])[O-].C(=O)([O-])[O-].[NH4+].[NH4+].[OH-].[OH-].[Zr+4]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C(=O)([O-])[O-].C(=O)([O-])[O-].[NH4+].[NH4+].[OH-].[OH-].[Zr+4]"
]
}
],
"attested_by": {
"279.94842": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.063.328",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163210;CAS:68309-95-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[68309-95-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=68309-95-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"68309-95-5"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8129HW7C6M",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163210;CAS:68309-95-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[68309-95-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/163210",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163210;CAS:68309-95-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[68309-95-5]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27269197",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:163210;CAS:68309-95-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[68309-95-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0a340ef1-7e47-49f8-af72-a5c7d6f0c1ee",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"68309-95-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=68309-95-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=68309-95-5"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"269-682-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=269-682-7"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/ChemicalSalt"
]
}