No PROV-O consensus activities found for this flow.
{
"uuid": "24b2e58d-d8fb-45f5-8c42-a0e473ec31b5",
"name": null,
"cas_numbers": [
"2457-01-4"
],
"ec_numbers": [
"219-535-8"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Surface water"
},
"general_comment": null,
"synonyms": [],
"unit": "kg",
"lcia_methods": [
{
"method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
"name": "Ecotoxicity, freshwater",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 18.983
},
{
"method_uuid": "dacd48b5-4da5-49aa-aff4-cd5f5495c037",
"name": "Ecotoxicity, freshwater_inorganics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 18.983
}
],
"source": "EF 3.1",
"identifier": "24b2e58d-d8fb-45f5-8c42-a0e473ec31b5",
"input_datasets": [
"EF 3.1"
],
"source_refs": [
{
"list_name": "EF",
"list_version": "3.1",
"source_flow_uuid": "24b2e58d-d8fb-45f5-8c42-a0e473ec31b5",
"source_flow_name": "barium bis(2-ethylhexanoate)",
"source_metadata": {
"input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
"input_dataset": "EF 3.1",
"original_context": [
"Emissions",
"Emissions to water",
"Emissions to fresh water"
]
}
}
],
"prefLabel": [
{
"@value": "12-oxotridecanoic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2457-01-4",
"name:12-oxotridecanoic acid",
"https://pubchem.ncbi.nlm.nih.gov/compound/75363"
],
"prov:wasDerivedFrom": "pubchem preferred label selection"
}
}
],
"_sources": {
"prefLabel": "consensus_match",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "enrich_references",
"skos:definition": "enrich_references",
"references": "enrich_references",
"altLabel": "consensus_match",
"cas_match_labels": "consensus_match"
},
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C13H24O3",
"C16H30BaO4",
"C16H32BaO4",
"C8H16BaO2"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363",
"CID:102821",
"CID:16212318",
"CID:71311386",
"CID:131876548"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GLTFFHPETWPAFE-UHFFFAOYSA-N",
"NRVDTUOVKXZNCW-UHFFFAOYSA-N",
"VFBHWJISJZIFCE-UHFFFAOYSA-N",
"VJFFDDQGMMQGTQ-UHFFFAOYSA-L"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363",
"CID:102821",
"CID:16212318",
"CID:71311386",
"CID:131876548"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC(=O)CCCCCCCCCCC(=O)O",
"CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.[Ba]",
"CCCCC(CC)C(=O)O.[Ba]",
"CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2]"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363",
"CID:102821",
"CID:16212318",
"CID:71311386",
"CID:131876548"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/2C8H16O2.Ba/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);",
"InChI=1S/2C8H16O2.Ba/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",
"InChI=1S/C13H24O3/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h2-11H2,1H3,(H,15,16)",
"InChI=1S/C8H16O2.Ba/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);"
],
"rdfs:label": "InChI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363",
"CID:102821",
"CID:16212318",
"CID:71311386",
"CID:131876548"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"12-ketotridecanoic acid",
"12-oxidanylidenetridecanoic acid",
"12-oxotridecanoic acid",
"barium(2+);bis(2-ethylhexanoate)"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363",
"CID:102821",
"CID:16212318",
"CID:71311386",
"CID:131876548"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"skos:definition": [],
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J121.230C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J216.094C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102821;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.017.328",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.017.760",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102821;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2345-12-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2457-01-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16212318;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID1062332",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID8044888",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102821;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QOU5ZV191I",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102821;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://lipidmaps.org/databases/lmsd/LMFA01060043",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/102821",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102821;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2457-01-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/131876548",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:131876548;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2457-01-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16212318",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16212318;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2457-01-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/71311386",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:71311386;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2457-01-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/75363",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2457-01-4]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:185248",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185176",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102821;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1566",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27287419",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:102821;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q81989976",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:75363;CAS:2457-01-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[2457-01-4]"
}
}
],
"altLabel": [
{
"@value": "2-Ethylhexanoic acid barium salt",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2457-01-4",
"https://commonchemistry.cas.org/detail?cas_rn=2457-01-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Barium 2-ethylhexanoate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2457-01-4",
"https://commonchemistry.cas.org/detail?cas_rn=2457-01-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Barium bis(2-ethylhexanoate)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2457-01-4",
"https://commonchemistry.cas.org/detail?cas_rn=2457-01-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Barium di(2-ethylhexanoate)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2457-01-4",
"https://commonchemistry.cas.org/detail?cas_rn=2457-01-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Barium diethylhexanoate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2457-01-4",
"https://commonchemistry.cas.org/detail?cas_rn=2457-01-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Barium(II) 2-ethylhexanoate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2457-01-4",
"https://commonchemistry.cas.org/detail?cas_rn=2457-01-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hexanoic acid, 2-ethyl-, barium salt",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2457-01-4",
"https://commonchemistry.cas.org/detail?cas_rn=2457-01-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hexanoic acid, 2-ethyl-, barium salt (2:1)",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2457-01-4",
"https://commonchemistry.cas.org/detail?cas_rn=2457-01-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nikka Octhix Ba 15%T",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2457-01-4",
"https://commonchemistry.cas.org/detail?cas_rn=2457-01-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nikka Octhix Barium",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2457-01-4",
"https://commonchemistry.cas.org/detail?cas_rn=2457-01-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"cas_match_labels": {
"2457-01-4": "exactMatch"
},
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/24b2e58d-d8fb-45f5-8c42-a0e473ec31b5",
"skos:prefLabel": "barium bis(2-ethylhexanoate)",
"context": "Emissions/Emissions to water/Emissions to fresh water",
"qudt:unit": "kg"
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/24b2e58d-d8fb-45f5-8c42-a0e473ec31b5"
},
"xkos:mapType": {
"@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
},
"provenance": {
"prov:wasGeneratedBy": "build_concept_associations",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
]
}
}
],
"flow_object_id": "fo-da365e4f1c9bcf90"
}