No PROV-O consensus activities found for this flow.
{
"uuid": "b109c61f-58df-40df-b065-37acf7755ec6",
"name": null,
"cas_numbers": [
"3891-07-4"
],
"ec_numbers": [
"223-434-4"
],
"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": 376.32
},
{
"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": 376.32
}
],
"source": "EF 3.1",
"identifier": "b109c61f-58df-40df-b065-37acf7755ec6",
"input_datasets": [
"EF 3.1"
],
"source_refs": [
{
"list_name": "EF",
"list_version": "3.1",
"source_flow_uuid": "b109c61f-58df-40df-b065-37acf7755ec6",
"source_flow_name": "2-(2-hydroxyethyl)-1h-isoindole-1,3(2h)-dione",
"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": "2-(2-hydroxyethyl)-1h-isoindole-1,3(2h)-dione",
"@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-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": [
"C10H9NO3",
"C14H19NO3",
"C17H23NO6",
"C17H24O6"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499",
"CID:114922",
"CID:291633",
"CID:3354762"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GLMODRZPPBZPPB-UHFFFAOYSA-N",
"MWFLUYFYHANMCM-UHFFFAOYSA-N",
"QUZGNIZLRAGRHB-UHFFFAOYSA-N",
"YIFMFXZUYBFVFL-DIRMQTSCSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499",
"CID:114922",
"CID:291633",
"CID:3354762"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=CC=C2C(=C1)C(=O)N(C2=O)CCO",
"CC(C(C)(C)C)NC(=O)C1=CC=CC=C1C(=O)O",
"CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)OCC1=CC=CC=C1",
"CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)CO",
"CC1=C[C@@H]2[C@](CC1)(C3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)CO"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499",
"CID:114922",
"CID:291633",
"CID:3354762"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2",
"InChI=1S/C14H19NO3/c1-9(14(2,3)4)15-12(16)10-7-5-6-8-11(10)13(17)18/h5-9H,1-4H3,(H,15,16)(H,17,18)",
"InChI=1S/C17H23NO6/c1-17(2,3)24-14(19)10-9-13(15(20)21)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)",
"InChI=1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(20)13(22-10(2)19)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15?,16-,17?/m1/s1"
],
"rdfs:label": "InChI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499",
"CID:114922",
"CID:291633",
"CID:3354762"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2-(1,2,2-trimethylpropylcarbamoyl)benzoic acid",
"2-(2-hydroxyethyl)isoindole-1,3-dione",
"2-(2-hydroxyethyl)isoindoline-1,3-dione",
"2-(2-hydroxyethyl)isoindoline-1,3-quinone",
"2-(3,3-dimethylbutan-2-ylcarbamoyl)benzoic acid",
"2-(benzyloxycarbonylamino)-5-tert-butoxy-5-keto-valeric acid",
"2-(benzyloxycarbonylamino)-5-tert-butoxy-5-oxo-pentanoic acid",
"2-[(3,3-dimethylbutan-2-ylamino)-oxomethyl]benzoic acid",
"5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid",
"5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid",
"[(2R,7R,9R,10R,11S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate",
"[(2R,7R,9R,10R,11S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate",
"[(2R,7R,9R,10R,11S)-2-(hydroxymethyl)-1,5-dimethyl-10-oxidanyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] ethanoate",
"acetic acid [(2R,7R,9R,10R,11S)-10-hydroxy-1,5-dimethyl-2-methylol-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] ester",
"acetic acid [(2R,7R,9R,10R,11S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-11-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]yl] ester"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499",
"CID:114922",
"CID:291633",
"CID:3354762"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"skos:definition": [],
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J26.029K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.021.305",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.215.365",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3354762;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2531-11-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:114922;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=3891-07-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID1063225",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID30938509",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:114922;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID401346522",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3354762;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID80303147",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:291633;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2773",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=50624",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/61842K53O1",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/114922",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:114922;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[3891-07-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/291633",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:291633;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[3891-07-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3354762",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:3354762;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[3891-07-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/77499",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[3891-07-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27263319",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:77499;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72502162",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:291633;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q82914827",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:114922;CAS:3891-07-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[3891-07-4]"
}
}
],
"altLabel": [
{
"@value": "1<em>H</em>-Isoindole-1,3(2<em>H</em>)-dione, 2-(2-hydroxyethyl)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3891-07-4",
"https://commonchemistry.cas.org/detail?cas_rn=3891-07-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2-Hydroxyethyl)-1<em>H</em>-isoindole-1,3(2<em>H</em>)-dione",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3891-07-4",
"https://commonchemistry.cas.org/detail?cas_rn=3891-07-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2-Hydroxyethyl)-2,3-dihydro-1<em>H</em>-isoindole-1,3-dione",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3891-07-4",
"https://commonchemistry.cas.org/detail?cas_rn=3891-07-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2-Hydroxyethyl)isoindole-1,3-dione",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3891-07-4",
"https://commonchemistry.cas.org/detail?cas_rn=3891-07-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(2-Hydroxyethyl)isoindoline-1,3-dione",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3891-07-4",
"https://commonchemistry.cas.org/detail?cas_rn=3891-07-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-(<em>N</em>-Phthalimidyl)ethyl alcohol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3891-07-4",
"https://commonchemistry.cas.org/detail?cas_rn=3891-07-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Phthalimidoethanol",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3891-07-4",
"https://commonchemistry.cas.org/detail?cas_rn=3891-07-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "<em>N</em>-(2-Hydroxyethyl)phthalimide",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3891-07-4",
"https://commonchemistry.cas.org/detail?cas_rn=3891-07-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "<em>N</em>-Hydroxyethylphthalimide",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3891-07-4",
"https://commonchemistry.cas.org/detail?cas_rn=3891-07-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "NSC 2773",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3891-07-4",
"https://commonchemistry.cas.org/detail?cas_rn=3891-07-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "NSC 50624",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3891-07-4",
"https://commonchemistry.cas.org/detail?cas_rn=3891-07-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phthalimide, <em>N</em>-(2-hydroxyethyl)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:3891-07-4",
"https://commonchemistry.cas.org/detail?cas_rn=3891-07-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"cas_match_labels": {
"3891-07-4": "exactMatch"
},
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/b109c61f-58df-40df-b065-37acf7755ec6",
"skos:prefLabel": "2-(2-hydroxyethyl)-1h-isoindole-1,3(2h)-dione",
"context": "Emissions/Emissions to water/Emissions to fresh water",
"qudt:unit": "kg"
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/b109c61f-58df-40df-b065-37acf7755ec6"
},
"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-df7c76efc686426b"
}