4-nitropyridine
Everything that changed this flow. Back to the flow
d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6
By field
12 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 |
| cas_match_labels | 1 | consensus_match | group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 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=['1122-61-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[4928, 70734]; selected_pubchem_cids=[70734]; 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
16| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 10,949 | bootstrap_labels | prefLabel | — | [{"@value":"4-nitropyridine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 10,950 | bootstrap_labels | name | 4-nitropyridine | — | Purged legacy name field to enforce prefLabel usage |
| 10,951 | bootstrap_labels | synonyms | ["AC1L2EQM","AC1Q208E","AE-641/00395004","AKOS000267399","Pyridine, 4-nitro-","Pyridine, 4-nitro- (8CI)(9CI)"] | [] | Removed legacy synonyms field in favor of structured labels |
| 175,922 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 175,923 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 216,970 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 237,600 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N2O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,601 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,602 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J478.422G","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['1122-61-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[4928, 70734]; selected_pubchem_cids=[70734]; 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 |
| 251,307 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N2O2"]… | rdkit_pre_consensus from 'C1=CN=CC=C1[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 262,897 | consensus_match | cas_match_labels | — | {"1122-61-8":"exactMatch"} | group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'} |
| 276,493 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N2O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-nitropyridine' |
| 283,101 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N2O2"]… | rdkit_post_consensus from 'O=[N+]([O-])c1ccncc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 368,985 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d4ea9e4e-ecf5-… | associations resolved on the elementary layer |
| 390,847 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N2O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H4N2O2"]… | typed the way the ontology types it |
| 398,637 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
16 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/20260821T1302361922970000/10949 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v0 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v1 |
| ef:activity/change/20260821T1302361922970000/10950 | name | ef:agent/bootstrap_labels | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v1 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v2 |
| ef:activity/change/20260821T1302361922970000/10951 | synonyms | ef:agent/bootstrap_labels | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v2 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v3 |
| ef:activity/change/20260821T1302361922970000/175922 | context | ef:agent/default_context_mapping | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v3 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v4 |
| ef:activity/change/20260821T1302361922970000/175923 | context_iri | ef:agent/default_context_mapping | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v4 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v5 |
| ef:activity/change/20260821T1302361922970000/216970 | unit_iri | ef:agent/unit_normalization | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v5 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v6 |
| ef:activity/change/20260821T1302361922970000/237600 | properties | ef:agent/enrich_references | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v6 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v7 |
| ef:activity/change/20260821T1302361922970000/237601 | skos_definition | ef:agent/enrich_references | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v7 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v8 |
| ef:activity/change/20260821T1302361922970000/237602 | references | ef:agent/enrich_references | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v8 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v9 |
| ef:activity/change/20260821T1302361922970000/251307 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v9 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v10 |
| ef:activity/change/20260821T1302361922970000/262897 | cas_match_labels | ef:agent/consensus_match | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v10 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v11 |
| ef:activity/change/20260821T1302361922970000/276493 | properties | ef:agent/opsin_iupac | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v11 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v12 |
| ef:activity/change/20260821T1302361922970000/283101 | properties | ef:agent/rdkit_post_consensus | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v12 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v13 |
| ef:activity/change/20260821T1302361922970000/368985 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v13 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v14 |
| ef:activity/change/20260821T1302361922970000/390847 | properties | ef:agent/normalise_property_values | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v14 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v15 |
| ef:activity/change/20260821T1302361922970000/398637 | types | ef:agent/link_flows_to_their_substance | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v15 | ef:flow/d4ea9e4e-ecf5-4e3c-8580-ace9da9b47b6/v16 |