2,4-dinitrotoluene
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-99ab-0050c2490048
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 7194' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,4-dinitrotoluene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-14-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-32910fbc1d34562a: {'121-14-2': '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=['121-14-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_920']; candidate_pubchem_cids=[8461, 440315]; selected_pubchem_cids=[8461]; 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 |
|---|---|---|---|---|---|
| 8,159 | bootstrap_labels | prefLabel | — | [{"@value":"2,4-dinitrotoluene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 8,160 | bootstrap_labels | name | 2,4-dinitrotoluene | — | Purged legacy name field to enforce prefLabel usage |
| 8,161 | bootstrap_labels | synonyms | ["1-Methyl-2,4-dinitrobenzene","2,-Dinitrotoluene","2,4-DNT","2,4-Dinitro-1-methylbenzene","2,4-Dinitromethylbenzene","… | [] | Removed legacy synonyms field in favor of structured labels |
| 36,826 | 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 |
| 36,827 | 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 |
| 216,056 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 234,972 | 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) |
| 234,973 | enrich_references | skos_definition | — | [{"@value":"A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,974 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.922J","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['121-14-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_920']; candidate_pubchem_cids=[8461, 440315]; selected_pubchem_cids=[8461]; 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 |
| 250,551 | 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=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]'; added: monoisotopic_mass |
| 255,511 | chebi_altlabels | altLabel | [] | [{"@value":"1-methyl-2,4-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,978 | consensus_match | altLabel | [{"@value":"1-methyl-2,4-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"1-methyl-2,4-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | group_key=2,4-dinitrotoluene||dimension=Environmental > media=Ground > geography=Agricultural; cas=121-14-2; added Common Chemistry CAS names as altLabel: 4-Methyl-1,3-dinitrobenzene, 6-Methyl-1,3-dinitrobenzene, Benzene, 1-methyl-2,4-dinitro-, NSC 7194, Toluene, 2,4-dinitro-; object_uuid=fo-32910fbc1d34562a |
| 259,979 | consensus_match | cas_match_labels | — | {"121-14-2":"exactMatch"} | group_key=2,4-dinitrotoluene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-14-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-32910fbc1d34562a: {'121-14-2': 'exactMatch'} |
| 275,712 | 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 '2,4-dinitrotoluene' |
| 282,264 | 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-])cc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,923 | strip_catalogue_altlabels | altLabel | [{"@value":"1-methyl-2,4-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"1-methyl-2,4-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Removed 1 catalogue altLabel value(s): 'NSC 7194' (registry code) |
| 299,432 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 390,047 | 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 |
| 397,506 | 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/20260821T0609040591070000/8159 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v1 |
| ef:activity/change/20260821T0609040591070000/8160 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v2 |
| ef:activity/change/20260821T0609040591070000/8161 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v3 |
| ef:activity/change/20260821T0609040591070000/36826 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v4 |
| ef:activity/change/20260821T0609040591070000/36827 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v5 |
| ef:activity/change/20260821T0609040591070000/216056 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v6 |
| ef:activity/change/20260821T0609040591070000/234972 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v7 |
| ef:activity/change/20260821T0609040591070000/234973 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v8 |
| ef:activity/change/20260821T0609040591070000/234974 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v9 |
| ef:activity/change/20260821T0609040591070000/250551 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v10 |
| ef:activity/change/20260821T0609040591070000/255511 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v11 |
| ef:activity/change/20260821T0609040591070000/259978 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v12 |
| ef:activity/change/20260821T0609040591070000/259979 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v13 |
| ef:activity/change/20260821T0609040591070000/275712 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v14 |
| ef:activity/change/20260821T0609040591070000/282264 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v15 |
| ef:activity/change/20260821T0609040591070000/288923 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v16 |
| ef:activity/change/20260821T0609040591070000/299432 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v17 |
| ef:activity/change/20260821T0609040591070000/390047 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v18 |
| ef:activity/change/20260821T0609040591070000/397506 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-99ab-0050c2490048/v19 |