1-nitropyrene
Everything that changed this flow. Back to the flow
e281beb2-f227-4448-8614-a07c3478689d
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 81340' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1-nitropyrene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5522-43-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-51baff95401934d4: {'5522-43-0': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['5522-43-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34107']; candidate_pubchem_cids=[21694, 1954782]; selected_pubchem_cids=[21694]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,711 | bootstrap_labels | prefLabel | — | [{"@value":"1-nitropyrene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 16,712 | bootstrap_labels | name | 1-nitropyrene | — | Purged legacy name field to enforce prefLabel usage |
| 19,399 | bootstrap_labels | synonyms | ["1-Nitropyrene [Nitroarenes]","1-Nitropyrene [Polycyclic aromatic compounds]","3-Nitropyrene","AC1L2IVS","AKOS00238433… | [] | Removed legacy synonyms field in favor of structured labels |
| 184,622 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 184,623 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 218,821 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,885 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H9NO2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,886 | enrich_references | skos_definition | — | [{"@value":"A nitroarene that is pyrene substituted at the 1-position by a nitro group. A by-product of combustion, it… | Merged ChEBI/PubChem definitions into skos:definition |
| 242,887 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.838D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['5522-43-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34107']; candidate_pubchem_cids=[21694, 1954782]; selected_pubchem_cids=[21694]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 252,841 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H9NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H9NO2"]… | rdkit_pre_consensus from 'C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-]'; added: monoisotopic_mass |
| 256,588 | chebi_altlabels | altLabel | [] | [{"@value":"3-Nitropyrene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,269 | consensus_match | altLabel | [{"@value":"3-Nitropyrene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"3-Nitropyrene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | group_key=1-nitropyrene||dimension=Environmental > media=Air > indoor=Unknown; cas=5522-43-0; added Common Chemistry CAS names as altLabel: NSC 81340, Pyrene, 1-nitro-; object_uuid=fo-51baff95401934d4 |
| 259,270 | consensus_match | cas_match_labels | — | {"5522-43-0":"exactMatch"} | group_key=1-nitropyrene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5522-43-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-51baff95401934d4: {'5522-43-0': 'exactMatch'} |
| 278,042 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H9NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H9NO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-nitropyrene' |
| 284,770 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H9NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H9NO2"]… | rdkit_post_consensus from 'O=[N+]([O-])c1ccc2ccc3cccc4ccc1c2c34'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,642 | strip_catalogue_altlabels | altLabel | [{"@value":"3-Nitropyrene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"3-Nitropyrene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Removed 1 catalogue altLabel value(s): 'NSC 81340' (registry code) |
| 373,331 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e281beb2-f227-… | associations resolved on the elementary layer |
| 392,394 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H9NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H9NO2"]… | typed the way the ontology types it |
| 400,841 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260820T1812399309960000/16711 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v0 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v1 |
| ef:activity/change/20260820T1812399309960000/16712 | name | ef:agent/bootstrap_labels | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v1 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v2 |
| ef:activity/change/20260820T1812399309960000/19399 | synonyms | ef:agent/bootstrap_labels | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v2 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v3 |
| ef:activity/change/20260820T1812399309960000/184622 | context | ef:agent/default_context_mapping | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v3 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v4 |
| ef:activity/change/20260820T1812399309960000/184623 | context_iri | ef:agent/default_context_mapping | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v4 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v5 |
| ef:activity/change/20260820T1812399309960000/218821 | unit_iri | ef:agent/unit_normalization | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v5 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v6 |
| ef:activity/change/20260820T1812399309960000/242885 | properties | ef:agent/enrich_references | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v6 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v7 |
| ef:activity/change/20260820T1812399309960000/242886 | skos_definition | ef:agent/enrich_references | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v7 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v8 |
| ef:activity/change/20260820T1812399309960000/242887 | references | ef:agent/enrich_references | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v8 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v9 |
| ef:activity/change/20260820T1812399309960000/252841 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v9 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v10 |
| ef:activity/change/20260820T1812399309960000/256588 | altLabel | ef:agent/chebi_altlabels | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v10 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v11 |
| ef:activity/change/20260820T1812399309960000/259269 | altLabel | ef:agent/consensus_match | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v11 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v12 |
| ef:activity/change/20260820T1812399309960000/259270 | cas_match_labels | ef:agent/consensus_match | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v12 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v13 |
| ef:activity/change/20260820T1812399309960000/278042 | properties | ef:agent/opsin_iupac | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v13 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v14 |
| ef:activity/change/20260820T1812399309960000/284770 | properties | ef:agent/rdkit_post_consensus | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v14 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v15 |
| ef:activity/change/20260820T1812399309960000/290642 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v15 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v16 |
| ef:activity/change/20260820T1812399309960000/373331 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v16 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v17 |
| ef:activity/change/20260820T1812399309960000/392394 | properties | ef:agent/normalise_property_values | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v17 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v18 |
| ef:activity/change/20260820T1812399309960000/400841 | types | ef:agent/link_flows_to_their_substance | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v18 | ef:flow/e281beb2-f227-4448-8614-a07c3478689d/v19 |