Consensus flow list

Identity

Substance
fo-cdec332c83078bf7 NeutralMolecule
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Agricultural
CAS
6443-92-1
EC
229-242-7

Context

Dimension
Environmental
Geography
Agricultural
Media
Ground

Alternative labels

5

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 1f31c0a9-6556-11dd-ad8b-0800200c9a66 2-heptene 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 1f31c0a9-6556-11dd-ad8b-0800200c9a66 2-heptene Emissions/Emissions to soil/Emissions to agricultural soil 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
{
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    {
      "@value": "(2Z)-2-Heptene",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(Z)-2-Heptene",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Heptene, (2Z)-",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Heptene, (Z)-",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "cis-2-Heptene",
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      "source": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
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        "C7H14"
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    },
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    },
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      "rdfs:label": "Molecular mass",
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      ],
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      ],
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      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/isomeric_smiles_string": {
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    }
  },
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  ],
  "prefLabel": [
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      "@value": "2-heptene",
      "@language": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
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  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "1f31c0a9-6556-11dd-ad8b-0800200c9a66",
  "identifier": "1f31c0a9-6556-11dd-ad8b-0800200c9a66",
  "source": "EF 3.1",
  "cas_numbers": [
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  ],
  "ec_numbers": [
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  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-cdec332c83078bf7",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
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        "skos:prefLabel": "2-heptene",
        "context": "Emissions/Emissions to soil/Emissions to agricultural soil",
        "qudt:hasUnit": {
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        "skos:exactMatch": {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "ec_numbers": "ec_cross_check",
    "properties": "link_flows_to_their_substance",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "dedupe_altlabels",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "6443-92-1": "exactMatch"
  },
  "general_comment": "Correct mapping CAS and flow to be verified, potentially wrong. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "_transformed": true,
  "_provided": {
    "name": "2-heptene",
    "synonyms": [
      "(2Z)-hept-2-ene",
      "(Z)-2-C7H14",
      "(Z)-2-Heptene",
      "(Z)-Hept-2-ene",
      "2-heptene, (2Z)-",
      "AC1LD826",
      "H0411",
      "cis-2-Heptene"
    ],
    "context": [
      "Emissions",
      "Emissions to soil",
      "Emissions to agricultural soil"
    ],
    "cas_numbers": [
      "6443-92-1"
    ],
    "ec_numbers": [],
    "unit": "kg"
  }
}

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