Consensus flow list

Identity

Substance
fo-dc5307e163727452 NeutralMolecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Long-term
CAS
696-54-8
EC
211-796-6

Context

Dimension
Environmental
Media
Water
Water body
Long-term

Alternative labels

6

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 36450ae6-0bc8-4b63-9388-2c49fc689844 isonicotinaldehyde oxime 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 36450ae6-0bc8-4b63-9388-2c49fc689844 isonicotinaldehyde oxime Emissions/Emissions to water/Emissions to water, unspecified (long-term) exactMatch

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

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Full record

Flow JSON
{
  "altLabel": [
    {
      "@value": "4-(Hydroxyiminomethyl)pyridine",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:696-54-8",
          "https://commonchemistry.cas.org/detail?cas_rn=696-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Pyridinaldoxime",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:696-54-8",
          "https://commonchemistry.cas.org/detail?cas_rn=696-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Pyridinealdoxime",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:696-54-8",
          "https://commonchemistry.cas.org/detail?cas_rn=696-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Pyridinecarboxaldehyde, oxime",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:696-54-8",
          "https://commonchemistry.cas.org/detail?cas_rn=696-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isonicotinaldehyde, oxime",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:696-54-8",
          "https://commonchemistry.cas.org/detail?cas_rn=696-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyridine-4-carboxaldoxime",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=696-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H6N2O"
      ],
      "attested_by": {
        "C6H6N2O": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "ON=Cc1ccncc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "OFYLBLSSPQTTHT-UHFFFAOYSA-N"
      ],
      "attested_by": {
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
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          ]
        }
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "ON=Cc1ccncc1"
      ],
      "provenance": [
        {
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          ]
        },
        {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H"
      ],
      "provenance": [
        {
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          ]
        },
        {
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Isonicotinaldehyde Oxime"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Isonicotinaldehyde Oxime"
        ]
      },
      "attested_by": {
        "Isonicotinaldehyde Oxime": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        122.127
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CN=CC=C1C=NO"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "122.127": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        122.048013
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "122.048013": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.010.725",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[696-54-8]"
      }
    },
    {
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      "provenance": {
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    },
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    },
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        "prov:wasDerivedFrom": "pubchem.identifiers[696-54-8]"
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  ],
  "prefLabel": [
    {
      "@value": "Isonicotinaldehyde Oxime",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "36450ae6-0bc8-4b63-9388-2c49fc689844",
  "identifier": "36450ae6-0bc8-4b63-9388-2c49fc689844",
  "source": "EF 3.1",
  "cas_numbers": [
    "696-54-8"
  ],
  "ec_numbers": [
    "211-796-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Long-term"
  },
  "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": 0.0
    },
    {
      "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": 0.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-lote",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-dc5307e163727452",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/36450ae6-0bc8-4b63-9388-2c49fc689844",
        "skos:prefLabel": "isonicotinaldehyde oxime",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified (long-term)",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/36450ae6-0bc8-4b63-9388-2c49fc689844"
        }
      },
      "xkos:targetConcept": {
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      },
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      }
    }
  ],
  "_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": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "strip_catalogue_altlabels",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "696-54-8": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "isonicotinaldehyde oxime",
    "synonyms": [
      "(E)-N-hydroxy-1-(pyridin-4-yl)methanimine",
      "4-(Hydroxyiminomethyl)pyridine",
      "4-(nitrosomethylidene)-1H-pyridine",
      "4-Pyridine aldoxime",
      "4-Pyridinealdoxime",
      "4-Pyridinecarboxaldehyde, oxime",
      "4-Pyridinecarboxaldehyde, oxime, (E)-",
      "4-Pyridinecarboxaldoxime",
      "AC1NT5BE",
      "AKOS000266529",
      "ISONICOTINALDEHYDE, OXIME",
      "Isonicotinaldoxime",
      "P0673",
      "Pyridine, 4-formyl-, oxime",
      "Pyridine-4-aldoxime",
      "ST51031538"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to water, unspecified (long-term)"
    ],
    "cas_numbers": [
      "696-54-8"
    ],
    "ec_numbers": [
      "211-796-6"
    ],
    "unit": "kg"
  }
}

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