2,5-dinitrotoluene
Everything that changed this flow. Back to the flow
18dbceb9-35e5-42b5-9438-5135c0d2fb6c
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 159120' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,5-dinitrotoluene||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'619-15-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b3ccb1a541d6b2a5: {'619-15-8': '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 air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 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=['619-15-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[12075]; selected_pubchem_cids=[12075]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 173 | bootstrap_labels | prefLabel | — | [{"@value":"2,5-dinitrotoluene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 174 | bootstrap_labels | name | 2,5-dinitrotoluene | — | Purged legacy name field to enforce prefLabel usage |
| 16,045 | bootstrap_labels | synonyms | ["2,5-dinitrotoluene","2-methyl-1,4-dinitrobenzene","2,5-DNT","2-Methyl-1,4-dinitrobenzene","AC1L1YSF","Benzene, 2-meth… | [] | Removed legacy synonyms field in favor of structured labels |
| 52,932 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 52,933 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 213,390 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,324 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,325 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,326 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.041F","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['619-15-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[12075]; selected_pubchem_cids=[12075]; 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 |
| 248,350 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | rdkit_pre_consensus from 'CC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 260,044 | consensus_match | altLabel | [] | [{"@value":"1-Methyl-2,5-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | group_key=2,5-dinitrotoluene||dimension=Environmental > media=Air > strata=Long-term; cas=619-15-8; added Common Chemistry CAS names as altLabel: 1-Methyl-2,5-dinitrobenzene, 2,5-DNT, 2-Methyl-1,4-dinitrobenzene, 3-Methyl-1,4-dinitrobenzene, Benzene, 2-methyl-1,4-dinitro-, NSC 159120, Toluene, 2,5-dinitro-; object_uuid=fo-b3ccb1a541d6b2a5 |
| 260,045 | consensus_match | cas_match_labels | — | {"619-15-8":"exactMatch"} | group_key=2,5-dinitrotoluene||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'619-15-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b3ccb1a541d6b2a5: {'619-15-8': 'exactMatch'} |
| 273,477 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,5-dinitrotoluene' |
| 279,828 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | rdkit_post_consensus from 'Cc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,274 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Methyl-2,5-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | [{"@value":"1-Methyl-2,5-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAt… | Removed 1 catalogue altLabel value(s): 'NSC 159120' (registry code) |
| 307,487 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/18dbceb9-35e5-… | associations resolved on the elementary layer |
| 387,749 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | typed the way the ontology types it |
| 394,220 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260820T1812399309960000/173 | prefLabel | ef:agent/bootstrap_labels | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v0 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v1 |
| ef:activity/change/20260820T1812399309960000/174 | name | ef:agent/bootstrap_labels | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v1 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v2 |
| ef:activity/change/20260820T1812399309960000/16045 | synonyms | ef:agent/bootstrap_labels | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v2 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v3 |
| ef:activity/change/20260820T1812399309960000/52932 | context | ef:agent/default_context_mapping | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v3 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v4 |
| ef:activity/change/20260820T1812399309960000/52933 | context_iri | ef:agent/default_context_mapping | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v4 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v5 |
| ef:activity/change/20260820T1812399309960000/213390 | unit_iri | ef:agent/unit_normalization | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v5 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v6 |
| ef:activity/change/20260820T1812399309960000/227324 | properties | ef:agent/enrich_references | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v6 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v7 |
| ef:activity/change/20260820T1812399309960000/227325 | skos_definition | ef:agent/enrich_references | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v7 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v8 |
| ef:activity/change/20260820T1812399309960000/227326 | references | ef:agent/enrich_references | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v8 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v9 |
| ef:activity/change/20260820T1812399309960000/248350 | properties | ef:agent/rdkit_pre_consensus | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v9 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v10 |
| ef:activity/change/20260820T1812399309960000/260044 | altLabel | ef:agent/consensus_match | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v10 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v11 |
| ef:activity/change/20260820T1812399309960000/260045 | cas_match_labels | ef:agent/consensus_match | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v11 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v12 |
| ef:activity/change/20260820T1812399309960000/273477 | properties | ef:agent/opsin_iupac | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v12 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v13 |
| ef:activity/change/20260820T1812399309960000/279828 | properties | ef:agent/rdkit_post_consensus | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v13 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v14 |
| ef:activity/change/20260820T1812399309960000/287274 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v14 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v15 |
| ef:activity/change/20260820T1812399309960000/307487 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v15 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v16 |
| ef:activity/change/20260820T1812399309960000/387749 | properties | ef:agent/normalise_property_values | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v16 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v17 |
| ef:activity/change/20260820T1812399309960000/394220 | types | ef:agent/link_flows_to_their_substance | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v17 | ef:flow/18dbceb9-35e5-42b5-9438-5135c0d2fb6c/v18 |