Brightway Flows 1.0
GitHub

Identity

Substance
fo-b457a29bb00df415 Molecular complex
Source
ecoinvent algorithm addition
Unit
kg
Context
Environmental → Water → Ocean
CAS
869-59-0
EC

Context

Dimension
Environmental
Media
Water
Water body
Ocean

Alternative labels

5

Source lists

3
List Version Source flow Name there Why this flow
agribalyse 3.2 5866989a-5011-538e-ba29-73e3b6e332d0 Trioctyltin This substance answers to the name the row carries; both name the same compartment.
ecoinvent 3.12 e2ee2329-8e3f-484a-a1a7-99316eb2762c Trioctyltin Nothing in the list carried this substance, so this flow was created from this row.
ecoinvent 3.8 e2ee2329-8e3f-484a-a1a7-99316eb2762c Trioctyltin The CAS numbers are the same (869-59-0); both name the same compartment.

Concept associations

3
Source list Source flow Name there Compartment there Match Conversion
ecoinvent 3.12 e2ee2329-8e3f-484a-a1a7-99316eb2762c Trioctyltin water / ocean exactMatch
ecoinvent 3.8 e2ee2329-8e3f-484a-a1a7-99316eb2762c Trioctyltin water / ocean closeMatch
agribalyse 3.2 5866989a-5011-538e-ba29-73e3b6e332d0 Trioctyltin Emissions to water / ocean closeMatch

History

The change log and the PROV-O trail (0 consensus changes)

Open the changes page

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Full record

Flow JSON
{
  "uuid": "fef56de09df6e883ab3c71d7537055b788a5c794",
  "identifier": "",
  "name": "Trioctyltin",
  "source": "ecoinvent algorithm addition",
  "cas_numbers": [
    "869-59-0"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [],
  "prefLabel": [
    {
      "@value": "Trioctyltin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Stannane, trioctyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:869-59-0",
          "ecoinvent-3.12",
          "https://commonchemistry.cas.org/detail?cas_rn=869-59-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tin, hydrotrioctyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:869-59-0",
          "ecoinvent-3.12",
          "https://commonchemistry.cas.org/detail?cas_rn=869-59-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trioctylstannane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:869-59-0",
          "ecoinvent-3.12",
          "https://commonchemistry.cas.org/detail?cas_rn=869-59-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trioctyltin hydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:869-59-0",
          "ecoinvent-3.12",
          "https://commonchemistry.cas.org/detail?cas_rn=869-59-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tris(n-octyl)stannane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:869-59-0",
          "ecoinvent-3.12",
          "https://commonchemistry.cas.org/detail?cas_rn=869-59-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-ocea",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-b457a29bb00df415",
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Stannane, trioctyl-"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Stannane, trioctyl-"
        ]
      },
      "attested_by": {
        "Stannane, trioctyl-": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[H].[Sn]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "InChI=1S/3C8H17.Sn.H/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;;"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[H].[Sn]"
          ]
        }
      ],
      "attested_by": {
        "[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[H].[Sn]": [
          "rdkit_authoritative",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/3C8H17.Sn.H/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;;"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "InChI=1S/3C8H17.Sn.H/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;;"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[H].[Sn]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/3C8H17.Sn.H/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;;": [
          "rdkit_authoritative",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "IUCXVGIUCHUPIW-UHFFFAOYSA-N"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "InChI=1S/3C8H17.Sn.H/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;;"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[H].[Sn]"
          ]
        }
      ],
      "attested_by": {
        "IUCXVGIUCHUPIW-UHFFFAOYSA-N": [
          "rdkit_authoritative",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C24H52Sn"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "InChI=1S/3C8H17.Sn.H/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;;"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[H].[Sn]"
          ]
        }
      ],
      "attested_by": {
        "C24H52Sn": [
          "rdkit_authoritative",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        459.391
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "InChI=1S/3C8H17.Sn.H/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;;"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[H].[Sn]"
          ]
        }
      ],
      "attested_by": {
        "459.391": [
          "rdkit_authoritative",
          "rdkit_post_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": [
        460.309096
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_authoritative",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "InChI=1S/3C8H17.Sn.H/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;;"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[H].[Sn]"
          ]
        }
      ],
      "attested_by": {
        "460.309096": [
          "rdkit_authoritative",
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=869-59-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "869-59-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/e2ee2329-8e3f-484a-a1a7-99316eb2762c",
        "skos:prefLabel": "Trioctyltin",
        "context": "water / ocean",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/fef56de09df6e883ab3c71d7537055b788a5c794"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fef56de09df6e883ab3c71d7537055b788a5c794"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_ecoinvent",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent:3.12:e2ee2329-8e3f-484a-a1a7-99316eb2762c",
          "Trioctyltin",
          ""
        ],
        "prov:wasDerivedFrom": "flow_object_creation:no-flow-object-candidate"
      }
    },
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ecoinvent/3.8/flow/e2ee2329-8e3f-484a-a1a7-99316eb2762c",
        "skos:prefLabel": "Trioctyltin",
        "context": "water / ocean",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:closeMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/fef56de09df6e883ab3c71d7537055b788a5c794"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/fef56de09df6e883ab3c71d7537055b788a5c794"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_ecoinvent",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent:3.8:e2ee2329-8e3f-484a-a1a7-99316eb2762c",
          "Trioctyltin",
          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:869-59-0",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=1",
          "algorithm.selector_reason=exact-context-iri-match",
          "algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:869-59-0);flow_object_candidates(1);elementary_candidates(1);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
      }
    },
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/agribalyse/3.2/flow/5866989a-5011-538e-ba29-73e3b6e332d0",
        "skos:prefLabel": "Trioctyltin",
        "context": "Emissions to water / ocean",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:closeMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/fef56de09df6e883ab3c71d7537055b788a5c794"
        }
      },
      "xkos:targetConcept": {
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      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_agribalyse",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "agribalyse:3.2:5866989a-5011-538e-ba29-73e3b6e332d0",
          "Trioctyltin",
          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=label:Stannane, trioctyl-; Tin, hydrotrioctyl-; Trioctylstannane",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=1",
          "algorithm.selector_reason=exact-context-iri-match",
          "algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(label:Stannane, trioctyl-; Tin, hydrotrioctyl-; Trioctylstannane);flow_object_candidates(1);elementary_candidates(1);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
      }
    }
  ],
  "_sources": {},
  "cas_match_labels": {},
  "general_comment": "",
  "_transformed": false,
  "_provided": {
    "name": null,
    "synonyms": [],
    "context": [],
    "cas_numbers": [],
    "ec_numbers": [],
    "unit": null
  },
  "elementary_flow_id": "fef56de09df6e883ab3c71d7537055b788a5c794",
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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