3,4-dinitrotoluene
Everything that changed this flow. Back to the flow
1c0293b5-aca7-465d-8e96-364d916afbb6
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 52216' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=3,4-dinitrotoluene||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'610-39-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-824f7fbe784ef6ca: {'610-39-9': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 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=['610-39-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_142285']; candidate_pubchem_cids=[11883]; selected_pubchem_cids=[11883]; 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 |
|---|---|---|---|---|---|
| 16,914 | bootstrap_labels | prefLabel | — | [{"@value":"3,4-dinitrotoluene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 16,915 | bootstrap_labels | name | 3,4-dinitrotoluene | — | Purged legacy name field to enforce prefLabel usage |
| 16,916 | bootstrap_labels | synonyms | ["3,4-DNT","4-Methyl-1,2-dinitrobenzene","AC1L1YCR","Benzene, 4-methyl-1,2-dinitro-","LTBB004408","Toluene, 3,4-dinitro… | [] | Removed legacy synonyms field in favor of structured labels |
| 54,896 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 54,897 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 218,887 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 243,070 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H6N2O4"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 243,071 | enrich_references | skos_definition | — | [{"@value":"A dinitrotoluene in which the methyl group is meta to one of the nitro groups and para to the other. A yell… | Merged ChEBI/PubChem definitions into skos:definition |
| 243,072 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.080J","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['610-39-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_142285']; candidate_pubchem_cids=[11883]; selected_pubchem_cids=[11883]; 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 |
| 252,894 | 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=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]'; added: monoisotopic_mass |
| 256,614 | chebi_altlabels | altLabel | [] | [{"@value":"1-methyl-3,4-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,550 | consensus_match | altLabel | [{"@value":"1-methyl-3,4-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"1-methyl-3,4-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | group_key=3,4-dinitrotoluene||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=610-39-9; added Common Chemistry CAS names as altLabel: 5-Methyl-1,2-dinitrobenzene, Benzene, 4-methyl-1,2-dinitro-, NSC 52216, Toluene, 3,4-dinitro-; object_uuid=fo-824f7fbe784ef6ca |
| 261,551 | consensus_match | cas_match_labels | — | {"610-39-9":"exactMatch"} | group_key=3,4-dinitrotoluene||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'610-39-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-824f7fbe784ef6ca: {'610-39-9': 'exactMatch'} |
| 278,096 | 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 '3,4-dinitrotoluene' |
| 284,831 | 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 'Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,687 | strip_catalogue_altlabels | altLabel | [{"@value":"1-methyl-3,4-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"1-methyl-3,4-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Removed 1 catalogue altLabel value(s): 'NSC 52216' (registry code) |
| 308,473 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1c0293b5-aca7-… | associations resolved on the elementary layer |
| 392,450 | 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 |
| 400,931 | 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/20260821T1122181958110000/16914 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v0 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v1 |
| ef:activity/change/20260821T1122181958110000/16915 | name | ef:agent/bootstrap_labels | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v1 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v2 |
| ef:activity/change/20260821T1122181958110000/16916 | synonyms | ef:agent/bootstrap_labels | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v2 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v3 |
| ef:activity/change/20260821T1122181958110000/54896 | context | ef:agent/default_context_mapping | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v3 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v4 |
| ef:activity/change/20260821T1122181958110000/54897 | context_iri | ef:agent/default_context_mapping | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v4 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v5 |
| ef:activity/change/20260821T1122181958110000/218887 | unit_iri | ef:agent/unit_normalization | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v5 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v6 |
| ef:activity/change/20260821T1122181958110000/243070 | properties | ef:agent/enrich_references | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v6 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v7 |
| ef:activity/change/20260821T1122181958110000/243071 | skos_definition | ef:agent/enrich_references | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v7 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v8 |
| ef:activity/change/20260821T1122181958110000/243072 | references | ef:agent/enrich_references | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v8 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v9 |
| ef:activity/change/20260821T1122181958110000/252894 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v9 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v10 |
| ef:activity/change/20260821T1122181958110000/256614 | altLabel | ef:agent/chebi_altlabels | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v10 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v11 |
| ef:activity/change/20260821T1122181958110000/261550 | altLabel | ef:agent/consensus_match | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v11 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v12 |
| ef:activity/change/20260821T1122181958110000/261551 | cas_match_labels | ef:agent/consensus_match | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v12 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v13 |
| ef:activity/change/20260821T1122181958110000/278096 | properties | ef:agent/opsin_iupac | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v13 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v14 |
| ef:activity/change/20260821T1122181958110000/284831 | properties | ef:agent/rdkit_post_consensus | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v14 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v15 |
| ef:activity/change/20260821T1122181958110000/290687 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v15 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v16 |
| ef:activity/change/20260821T1122181958110000/308473 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v16 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v17 |
| ef:activity/change/20260821T1122181958110000/392450 | properties | ef:agent/normalise_property_values | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v17 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v18 |
| ef:activity/change/20260821T1122181958110000/400931 | types | ef:agent/link_flows_to_their_substance | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v18 | ef:flow/1c0293b5-aca7-465d-8e96-364d916afbb6/v19 |