No PROV-O consensus activities found for this flow.
{
"uuid": "d34e3b5e-e22c-4a8e-8d1e-eed79f3b5bed",
"name": null,
"cas_numbers": [
"224789-21-3"
],
"ec_numbers": [
"607-089-0"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Unknown"
},
"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": 402.05
},
{
"method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
"name": "Ecotoxicity, freshwater_organics",
"methodology": "Environmental Footprint",
"impact_category": "Aquatic eco-toxicity",
"impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
"characterization_factor": 402.05
}
],
"source": "EF 3.1",
"identifier": "d34e3b5e-e22c-4a8e-8d1e-eed79f3b5bed",
"input_datasets": [
"EF 3.1"
],
"source_refs": [
{
"list_name": "EF",
"list_version": "3.1",
"source_flow_uuid": "d34e3b5e-e22c-4a8e-8d1e-eed79f3b5bed",
"source_flow_name": "2-(2-ethoxyphenyl)-5-methyl-7-propylimidazo-[5,1-f][1,2,4]triazin-4(3h)-one",
"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 air",
"Emissions to air, unspecified"
]
}
}
],
"prefLabel": [
{
"@value": "2-(2-ethoxyphenyl)-5-methyl-7-propylimidazo-[5,1-f][1,2,4]triazin-4(3h)-one",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"_sources": {
"prefLabel": "bootstrap_labels",
"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-air-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C17H20N4O2",
"C17H22N4O2",
"C17H26N4O2"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:45039176",
"CID:135406983",
"CID:176450502"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"LWXFJGPARAFFPP-UHFFFAOYSA-N",
"OTHPOJFYYRJLNZ-UHFFFAOYSA-N",
"YRRWQMBIMZMVDB-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:45039176",
"CID:135406983",
"CID:176450502"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCCC1=NC(=C2N1N=C(NC2=O)C3=CC=CC=C3OCC)C",
"CCCC1=NC(=C2N1NC(NC2=O)C3=CC=CC=C3OCC)C",
"CCCC1NC(C2N1NC(NC2=O)C3=CC=CC=C3OCC)C"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:45039176",
"CID:135406983",
"CID:176450502"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C17H20N4O2/c1-4-8-14-18-11(3)15-17(22)19-16(20-21(14)15)12-9-6-7-10-13(12)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20,22)",
"InChI=1S/C17H22N4O2/c1-4-8-14-18-11(3)15-17(22)19-16(20-21(14)15)12-9-6-7-10-13(12)23-5-2/h6-7,9-10,16,20H,4-5,8H2,1-3H3,(H,19,22)",
"InChI=1S/C17H26N4O2/c1-4-8-14-18-11(3)15-17(22)19-16(20-21(14)15)12-9-6-7-10-13(12)23-5-2/h6-7,9-11,14-16,18,20H,4-5,8H2,1-3H3,(H,19,22)"
],
"rdfs:label": "InChI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:45039176",
"CID:135406983",
"CID:176450502"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2-(2-ethoxyphenyl)-5-methyl-7-propyl-2,3,4a,5,6,7-hexahydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one",
"2-(2-ethoxyphenyl)-5-methyl-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one",
"2-(2-ethoxyphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one",
"5-methyl-2-o-phenetyl-7-propyl-2,3,4a,5,6,7-hexahydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one",
"5-methyl-2-o-phenetyl-7-propyl-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one",
"5-methyl-2-o-phenetyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:45039176",
"CID:135406983",
"CID:176450502"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"skos:definition": [],
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.708.850E",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:135406983;CAS:224789-21-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[224789-21-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.111.139",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:135406983;CAS:224789-21-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[224789-21-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=224789-21-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:135406983;CAS:224789-21-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[224789-21-3]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID80433458",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:135406983;CAS:224789-21-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[224789-21-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VPW4AN40PA",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:135406983;CAS:224789-21-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[224789-21-3]"
}
},
{
"@id": "https://pharos.nih.gov/ligands/L1C3H8RS9TMG",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:135406983;CAS:224789-21-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[224789-21-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/135406983",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:135406983;CAS:224789-21-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[224789-21-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/176450502",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:176450502;CAS:224789-21-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[224789-21-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/45039176",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:45039176;CAS:224789-21-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[224789-21-3]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL352722",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:135406983;CAS:224789-21-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[224789-21-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27291960",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:135406983;CAS:224789-21-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[224789-21-3]"
}
}
],
"altLabel": [
{
"@value": "2-(2-Ethoxyphenyl)-5-methyl-7-propyl-1<em>H</em>-imidazo[5,1-<em>f</em>][1,2,4]triazin-4-one",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:224789-21-3",
"https://commonchemistry.cas.org/detail?cas_rn=224789-21-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2-Ethoxyphenyl)-5-methyl-7-propyl-3<em>H</em>-imidazo[5,1-<em>f</em>][1,2,4]triazin-4-one",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:224789-21-3",
"https://commonchemistry.cas.org/detail?cas_rn=224789-21-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2-Ethoxyphenyl)-5-methyl-7-propylimidazo[5,1-<em>f</em>][1,2,4]triazin-4(1<em>H</em>)-one",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:224789-21-3",
"https://commonchemistry.cas.org/detail?cas_rn=224789-21-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2-Ethoxyphenyl)-5-methyl-7-propylimidazo[5,1-<em>f</em>][1,2,4]triazin-4(3<em>H</em>)-one",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:224789-21-3",
"https://commonchemistry.cas.org/detail?cas_rn=224789-21-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Imidazo[5,1-<em>f</em>][1,2,4]triazin-4(1<em>H</em>)-one, 2-(2-ethoxyphenyl)-5-methyl-7-propyl-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:224789-21-3",
"https://commonchemistry.cas.org/detail?cas_rn=224789-21-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"cas_match_labels": {
"224789-21-3": "exactMatch"
},
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/d34e3b5e-e22c-4a8e-8d1e-eed79f3b5bed",
"skos:prefLabel": "2-(2-ethoxyphenyl)-5-methyl-7-propylimidazo-[5,1-f][1,2,4]triazin-4(3h)-one",
"context": "Emissions/Emissions to air/Emissions to air, unspecified",
"qudt:unit": "kg"
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/d34e3b5e-e22c-4a8e-8d1e-eed79f3b5bed"
},
"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-382b44aa762ecc3b"
}