Consensus flow list

Identity

Substance
fo-f634d31e8c8d3a6d NeutralMolecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Ocean
CAS
76578-12-6
EC
616-350-8

Context

Dimension
Environmental
Media
Water
Water body
Ocean

Alternative labels

9

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 c3ea6a89-7e13-400f-a53e-9ae0e1b36c79 propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]- The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 c3ea6a89-7e13-400f-a53e-9ae0e1b36c79 propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]- Emissions/Emissions to water/Emissions to sea water exactMatch

Characterisation factors

4

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method Implementation Category Place Factor Published as
EF 3.1 European Commission — JRC Ecotoxicity, freshwater 3.2344e-06
EF 3.1 consensus-flow-list Ecotoxicity, freshwater 3.2344e-06 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics 3.2344e-06
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics 3.2344e-06 sole

This flow in the difference report

History

The change log and the PROV-O trail (4 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Full record

Flow JSON
{
  "altLabel": [
    {
      "@value": "(+-)-2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_81943",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(+-)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_81943",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(RS)-2-(4-(6-chloroquinoxalin-2-yloxy)phenoxy)propionic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_81943",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Xylafop",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_81943",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "rac-(2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_81943",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "rac-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Propanoic Acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "2-[4-[(6-Chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid",
      "@language": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pilot",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C17H13ClN2O4"
      ],
      "attested_by": {
        "C17H13ClN2O4": [
          "enrich_references.chebi_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
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        },
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
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        344.754
      ],
      "attested_by": {
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        ],
        "344.754": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular mass",
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      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O"
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        }
      ]
    },
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      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        344.05638,
        344.056385
      ],
      "attested_by": {
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        "344.056385": [
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      },
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      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
        0
      ],
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      "rdfs:label": "Elemental charge",
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
        "(+-)-2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoic acid"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "(+-)-2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoic acid"
        ]
      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
            "(+-)-2-(4-(6-chloro-2-quinoxalinyloxy)phenoxy)propanoic acid"
          ]
        },
        {
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    },
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)"
      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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            "CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O"
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      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "ABOOPXYCKNFDNJ-UHFFFAOYSA-N"
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "ABOOPXYCKNFDNJ-UHFFFAOYSA-N": [
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        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=76578-12-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81943",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "https://www.genome.jp/entry/C18763",
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        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "pesticides:quizalofop",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Quizalofop",
      "@language": "en",
      "source": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
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  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A racemate comprising equimolar amounts of quizalofop-P  of and (S)-quizalofop. Quizalofop is used (commonly as the corresponding ethyl ester, known as quizalofop-ethyl) as a selective post-emergence herbicide against annual and winter-hard grasses. The active isomer is the R enantiomer, which is known as quizalofop-P.",
      "@language": "en",
      "provenance": {
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      "@id": "http://purl.obolibrary.org/obo/CHEBI_24527",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
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    },
    {
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  "uuid": "c3ea6a89-7e13-400f-a53e-9ae0e1b36c79",
  "identifier": "c3ea6a89-7e13-400f-a53e-9ae0e1b36c79",
  "source": "EF 3.1",
  "cas_numbers": [
    "76578-12-6"
  ],
  "ec_numbers": [
    "616-350-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "synonyms": [],
  "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": 3.2344e-6
    },
    {
      "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": 3.2344e-6
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-ocea",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-f634d31e8c8d3a6d",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
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        "skos:prefLabel": "propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-",
        "context": "Emissions/Emissions to water/Emissions to sea water",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
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        }
      },
      "xkos:targetConcept": {
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      },
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      }
    }
  ],
  "_sources": {
    "prefLabel": "consensus_match",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance",
    "roles": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "76578-12-6": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-",
    "synonyms": [
      "organic"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to sea water"
    ],
    "cas_numbers": [
      "76578-12-6"
    ],
    "ec_numbers": [
      "616-350-8"
    ],
    "unit": "kg"
  }
}

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