Consensus flow list

Piperalin

da8e05d4-28eb-427e-a35f-f3115c1c2672

Identity

Substance
fo-7f5dd713282e4778 NeutralMolecule
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Indoor
CAS
3478-94-2
EC
222-455-6

Context

Dimension
Environmental
Indoor
Unknown
Media
Air

Alternative labels

7

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 da8e05d4-28eb-427e-a35f-f3115c1c2672 3-(2-methylpiperidino)propyl 3,4-dichlorobenzoate 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 da8e05d4-28eb-427e-a35f-f3115c1c2672 3-(2-methylpiperidino)propyl 3,4-dichlorobenzoate Emissions/Emissions to air/Emissions to air, indoor exactMatch —

History

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

Open the changes page

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Full record

Flow JSON 
{
  "altLabel": [
    {
      "@value": "rac-3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_83283",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-(2-methylpiperidino)propyl 3,4-dichlorobenzoate",
      "@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": "1-Piperidinepropanol, 2-methyl-, 3,4-dichlorobenzoate (ester)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3478-94-2",
          "https://commonchemistry.cas.org/detail?cas_rn=3478-94-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 3,4-dichloro-, 3-(2-methyl-1-piperidinyl)propyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3478-94-2",
          "https://commonchemistry.cas.org/detail?cas_rn=3478-94-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 3,4-dichloro-, 3-(2-methylpiperidino)propyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3478-94-2",
          "https://commonchemistry.cas.org/detail?cas_rn=3478-94-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pipron",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3478-94-2",
          "https://commonchemistry.cas.org/detail?cas_rn=3478-94-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "γ-(2-Methylpiperidino)propyl 3,4-dichlorobenzoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:3478-94-2",
          "https://commonchemistry.cas.org/detail?cas_rn=3478-94-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C16H21Cl2NO2"
      ],
      "attested_by": {
        "C16H21Cl2NO2": [
          "enrich_references.chebi_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
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        {
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        },
        {
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          "prov:hadPrimarySource": [
            "CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        330.249,
        330.255
      ],
      "attested_by": {
        "330.249": [
          "enrich_references.chebi_semantic"
        ],
        "330.255": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1"
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        }
      ]
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        329.09493,
        329.094934
      ],
      "attested_by": {
        "329.09493": [
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        ],
        "329.094934": [
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      },
      "rdfs:label": "Monoisotopic mass",
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          "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
        },
        {
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          "prov:hadPrimarySource": [
            "CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
        0
      ],
      "attested_by": {
        "0": [
          "enrich_references.chebi_semantic"
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      },
      "rdfs:label": "Elemental charge",
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          "http://purl.obolibrary.org/obo/CHEBI_83283"
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "rac-3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "rac-3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate"
        ]
      },
      "attested_by": {
        "rac-3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1"
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "rac-3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1"
          ]
        }
      ],
      "attested_by": {
        "CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3"
      ],
      "provenance": [
        {
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          ]
        },
        {
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          ]
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      "attested_by": {
        "InChI=1S/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3": [
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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": [
        "BZGLBXYQOMFXAU-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
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        ]
      },
      "attested_by": {
        "BZGLBXYQOMFXAU-UHFFFAOYSA-N": [
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        ]
      }
    }
  },
  "references": [
    {
      "@id": "agr:IND23278988",
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        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
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    {
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        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "pesticides:piperalin",
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        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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    }
  ],
  "prefLabel": [
    {
      "@value": "Piperalin",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3478-94-2"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A racemate comprising equimolar amounts of (R)- and (S)-piperalin. A fungicide introduced in the 1960s for the control of powdery mildew on ornamental plants, shrubs, vines and trees grown in commercial greenhouses, it is no longer approved for use within the European Union.",
      "@language": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi.definition"
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  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
      "rdfs:label": "agrochemical",
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      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
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    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
      "rdfs:label": "fungicide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy fungal pests.",
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      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
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  ],
  "uuid": "da8e05d4-28eb-427e-a35f-f3115c1c2672",
  "identifier": "da8e05d4-28eb-427e-a35f-f3115c1c2672",
  "source": "EF 3.1",
  "cas_numbers": [
    "3478-94-2"
  ],
  "ec_numbers": [
    "222-455-6"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "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": 734.22
    },
    {
      "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": 734.22
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-7f5dd713282e4778",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/da8e05d4-28eb-427e-a35f-f3115c1c2672",
        "skos:prefLabel": "3-(2-methylpiperidino)propyl 3,4-dichlorobenzoate",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/da8e05d4-28eb-427e-a35f-f3115c1c2672"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/da8e05d4-28eb-427e-a35f-f3115c1c2672"
      },
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      }
    }
  ],
  "_sources": {
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    "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",
    "roles": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "3478-94-2": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "3-(2-methylpiperidino)propyl 3,4-dichlorobenzoate",
    "synonyms": [
      "3-(2-methylpiperidino)propyl3,4-dichlorobenzoate",
      "3-(2-methylpiperidin-1-yl)propyl3,4-dichlorobenzoate",
      "1-Piperidinepropanol, 2-methyl-, 3,4-dichlorobenzoate (ester)",
      "3,4-Dichlorobenzoic acid, 3-(2-methylpiperidino)propyl ester",
      "3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate",
      "AC1L2D8O",
      "BENZOIC ACID, 3,4-DICHLORO-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER",
      "Benzoic acid, 3,4-dichloro-, 3-(2-methyl-1-piperidinyl)propyl ester",
      "EL 211",
      "Piperalin",
      "Pipron",
      "Sodium naphthalide",
      "gamma-(2-Methylpiperidino)propyl 3,4-dichlorobenzoate"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to air, indoor"
    ],
    "cas_numbers": [
      "3478-94-2"
    ],
    "ec_numbers": [
      "222-455-6"
    ],
    "unit": "kg"
  }
}

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