No PROV-O consensus activities found for this flow.
{
"uuid": "a4dc2ce7-1770-4967-944c-ea1fb69c93cd",
"name": null,
"cas_numbers": [
"14064-10-9"
],
"ec_numbers": [
"237-913-0"
],
"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": 20971.0
},
{
"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": 20971.0
}
],
"source": "EF 3.1",
"identifier": "a4dc2ce7-1770-4967-944c-ea1fb69c93cd",
"input_datasets": [
"EF 3.1"
],
"source_refs": [
{
"list_name": "EF",
"list_version": "3.1",
"source_flow_uuid": "a4dc2ce7-1770-4967-944c-ea1fb69c93cd",
"source_flow_name": "diethyl chloromalonate",
"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": "Diethyl Chloromalonate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"_sources": {
"prefLabel": "normalize_name_case",
"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": [
"C24H16F5NO4",
"C33H35NO9",
"C7H11ClO4"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182",
"CID:164119",
"CID:2759203"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"DLOGILOIJKBYKA-UHFFFAOYSA-N",
"VAWJCVXSOVKIMR-UHFFFAOYSA-N",
"WLWCQKMQYZFTDR-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182",
"CID:164119",
"CID:2759203"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=C(C(=C(C(=C4F)F)F)F)F)C(=O)O",
"CC1COC(C(C1O)(C)N(C)C)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C5=C(C(=C4)C)C(=O)C=C(O5)C6(C(O6)C7C(O7)C)C)O",
"CCOC(=O)C(C(=O)OCC)Cl"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182",
"CID:164119",
"CID:2759203"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C24H16F5NO4/c25-18-15(19(26)21(28)22(29)20(18)27)9-17(23(31)32)30-24(33)34-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8,16-17H,9-10H2,(H,30,33)(H,31,32)",
"InChI=1S/C33H35NO9/c1-13-10-18-23(28-21(13)19(35)11-20(42-28)33(5)31(43-33)27-15(3)41-27)26(38)22-16(24(18)36)8-9-17(25(22)37)30-32(4,34(6)7)29(39)14(2)12-40-30/h8-11,14-15,27,29-31,37,39H,12H2,1-7H3",
"InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3"
],
"rdfs:label": "InChI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182",
"CID:164119",
"CID:2759203"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"10-[3-(dimethylamino)-3,5-dimethyl-4-oxidanyl-oxan-2-yl]-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]-11-oxidanyl-naphtho[2,3-h]chromene-4,7,12-trione",
"10-[3-(dimethylamino)-4-hydroxy-3,5-dimethyl-2-oxanyl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyl-2-oxiranyl)-2-oxiranyl]naphtho[2,3-h][1]benzopyran-4,7,12-trione",
"10-[3-(dimethylamino)-4-hydroxy-3,5-dimethyl-tetrahydropyran-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione",
"10-[3-(dimethylamino)-4-hydroxy-3,5-dimethyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione",
"2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid",
"2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2,3,4,5,6-pentafluorophenyl)propionic acid",
"2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]propanoic acid",
"2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid",
"2-chloromalonic acid diethyl ester",
"2-chloropropanedioic acid diethyl ester",
"diethyl 2-chloranylpropanedioate",
"diethyl 2-chloropropanedioate"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182",
"CID:164119",
"CID:2759203"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"skos:definition": [],
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J267D",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182;CAS:14064-10-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[14064-10-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.034.452",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182;CAS:14064-10-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[14064-10-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=14064-10-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182;CAS:14064-10-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[14064-10-9]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID2022258",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182;CAS:14064-10-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[14064-10-9]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID801379852",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:164119;CAS:14064-10-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[14064-10-9]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=227952",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182;CAS:14064-10-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[14064-10-9]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8Y5J45M964",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182;CAS:14064-10-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[14064-10-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/164119",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:164119;CAS:14064-10-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[14064-10-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/2759203",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:2759203;CAS:14064-10-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[14064-10-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/84182",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182;CAS:14064-10-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[14064-10-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q105283029",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:164119;CAS:14064-10-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[14064-10-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27271193",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:84182;CAS:14064-10-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[14064-10-9]"
}
}
],
"altLabel": [
{
"@value": "1,3-Diethyl 2-chloropropanedioate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14064-10-9",
"https://commonchemistry.cas.org/detail?cas_rn=14064-10-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chloromalonic acid diethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14064-10-9",
"https://commonchemistry.cas.org/detail?cas_rn=14064-10-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Chloropropanedioic acid ethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14064-10-9",
"https://commonchemistry.cas.org/detail?cas_rn=14064-10-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diethyl 2-chloromalonate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14064-10-9",
"https://commonchemistry.cas.org/detail?cas_rn=14064-10-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diethyl chloropropanedioate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14064-10-9",
"https://commonchemistry.cas.org/detail?cas_rn=14064-10-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diethyl monochloromalonate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14064-10-9",
"https://commonchemistry.cas.org/detail?cas_rn=14064-10-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl chloromalonate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14064-10-9",
"https://commonchemistry.cas.org/detail?cas_rn=14064-10-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Malonic acid, chloro-, diethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14064-10-9",
"https://commonchemistry.cas.org/detail?cas_rn=14064-10-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "NSC 227952",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14064-10-9",
"https://commonchemistry.cas.org/detail?cas_rn=14064-10-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Propanedioic acid, 2-chloro-, 1,3-diethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14064-10-9",
"https://commonchemistry.cas.org/detail?cas_rn=14064-10-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Propanedioic acid, chloro-, diethyl ester",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14064-10-9",
"https://commonchemistry.cas.org/detail?cas_rn=14064-10-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "α-Chlorodiethyl malonate",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:14064-10-9",
"https://commonchemistry.cas.org/detail?cas_rn=14064-10-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"cas_match_labels": {
"14064-10-9": "exactMatch"
},
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/a4dc2ce7-1770-4967-944c-ea1fb69c93cd",
"skos:prefLabel": "diethyl chloromalonate",
"context": "Emissions/Emissions to water/Emissions to fresh water",
"qudt:unit": "kg"
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/a4dc2ce7-1770-4967-944c-ea1fb69c93cd"
},
"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-ccd6be50e4f9763d"
}