Brightway Flows 1.0
GitHub

Identity

Substance
fo-aa9afb9852e5c6d0 Neutral molecule
Source
stepwise algorithm addition
Unit
kg
Context
Environmental → Water → Unconfined aquifer
CAS
129-15-7
EC
204-932-0

Context

Dimension
Environmental
Media
Water
Water body
Unconfined aquifer

Alternative labels

5

Source lists

1
List Version Source flow Name there Why this flow
stepwise 2006-1.09 98ec31b9-84e4-5343-8c72-c51fb20b37e0 Nitroanthraquinone, 2-methyl-1- The CAS numbers are the same (129-15-7); no flow of this substance sat in that compartment, so this one was created for the row.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
stepwise 2006-1.09 98ec31b9-84e4-5343-8c72-c51fb20b37e0 2-Methyl-1-nitroanthraquinone Water / groundwater exactMatch —

Characterisation factors

2

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
Stepwise 2006 2.-0 LCA consultants Human toxicity, carcinogens — 2.0985e-04 —
Stepwise 2006 brightway-flows Human toxicity, carcinogens — 2.0985e-04 sole

This flow in the difference report

History

The change log and the PROV-O trail (0 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": "1-Nitro-2-methyl-9,10-anthraquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:129-15-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=129-15-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Nitro-2-methylanthraquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:129-15-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=129-15-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-1-nitro-9,10-anthracenedione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:129-15-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=129-15-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "9,10-Anthracenedione, 2-methyl-1-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:129-15-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=129-15-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anthraquinone, 2-methyl-1-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:129-15-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=129-15-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C15H9NO4"
      ],
      "attested_by": {
        "C15H9NO4": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_82345"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:31426"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "2-methyl-1-nitroanthraquinone"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O"
          ]
        }
      ],
      "attested_by": {
        "Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C15H9NO4/c1-8-6-7-11-12(13(8)16(19)20)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "2-methyl-1-nitroanthraquinone"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C15H9NO4/c1-8-6-7-11-12(13(8)16(19)20)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FYXKXZFTZBYYNP-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "FYXKXZFTZBYYNP-UHFFFAOYSA-N": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_82345"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:31426"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        267.24
      ],
      "attested_by": {
        "267.24": [
          "enrich_references.chebi_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_82345"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        267.053158,
        267.05316
      ],
      "attested_by": {
        "267.05316": [
          "enrich_references.chebi_semantic"
        ],
        "267.053158": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_82345"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
        0
      ],
      "attested_by": {
        "0": [
          "enrich_references.chebi_semantic"
        ]
      },
      "rdfs:label": "Elemental charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_82345"
        ],
        "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": [
        "2-methyl-1-nitroanthraquinone"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "2-methyl-1-nitroanthraquinone"
        ]
      },
      "attested_by": {
        "2-methyl-1-nitroanthraquinone": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.521F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:31426;CAS:129-15-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[129-15-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.004.485",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:31426;CAS:129-15-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[129-15-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=129-15-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_82345"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID7020847",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:31426;CAS:129-15-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[129-15-7]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:31426;CAS:129-15-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[129-15-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XU83BY176P",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:31426;CAS:129-15-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[129-15-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/31426",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:31426;CAS:129-15-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[129-15-7]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82345",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_id_link",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_82345"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1331312",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:31426;CAS:129-15-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[129-15-7]"
      }
    },
    {
      "@id": "https://www.genome.jp/entry/C19264",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_82345"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.kegg.jp/entry/C19264",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:31426;CAS:129-15-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[129-15-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27155888",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:31426;CAS:129-15-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[129-15-7]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2-methyl-1-nitroanthraquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "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": "be1e2decb6fa9f4fe7c07c9b15a2fb39d5d45216",
  "identifier": "",
  "name": "2-methyl-1-nitroanthraquinone",
  "source": "stepwise algorithm addition",
  "cas_numbers": [
    "129-15-7"
  ],
  "ec_numbers": [
    "204-932-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unconfined aquifer"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unaq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-aa9afb9852e5c6d0",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/stepwise/2006-1.09/flow/98ec31b9-84e4-5343-8c72-c51fb20b37e0",
        "skos:prefLabel": "2-Methyl-1-nitroanthraquinone",
        "context": "Water / groundwater",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/be1e2decb6fa9f4fe7c07c9b15a2fb39d5d45216"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/be1e2decb6fa9f4fe7c07c9b15a2fb39d5d45216"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_stepwise",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "stepwise:2006-1.09:98ec31b9-84e4-5343-8c72-c51fb20b37e0",
          "2-Methyl-1-nitroanthraquinone",
          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:129-15-7",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=13",
          "algorithm.selector_reason=new-elementary-flow-created",
          "algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto",
          "algorithm.winning_score=3",
          "algorithm.tie_on_top_score=true"
        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:129-15-7);flow_object_candidates(1);elementary_candidates(13);selector(new-elementary-flow-created);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": "be1e2decb6fa9f4fe7c07c9b15a2fb39d5d45216"
}

Something wrong here?

A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.

You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works

Keyboard

?
Show or hide this map
/
Focus search
Esc
Close