3,5-dinitroaniline
Everything that changed this flow. Back to the flow
0def13c4-ea3e-42b2-ae48-7b67b9061a67
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 284' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=3,5-dinitroaniline||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'618-87-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ce3e9784543173dd: {'618-87-1': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 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=['618-87-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[12068]; selected_pubchem_cids=[12068]; 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 |
|---|---|---|---|---|---|
| 10,068 | bootstrap_labels | prefLabel | — | [{"@value":"3,5-dinitroaniline","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 10,069 | bootstrap_labels | name | 3,5-dinitroaniline | — | Purged legacy name field to enforce prefLabel usage |
| 10,070 | bootstrap_labels | synonyms | ["AC1L1YRU","AC1Q51DM","AKOS001116893","AO-800/41069722","Aniline, 3,5-dinitro-","Benzenamine, 3,5-dinitro-","Benzenami… | [] | Removed legacy synonyms field in favor of structured labels |
| 45,634 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 45,635 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 216,683 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,793 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,794 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,795 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.423B","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['618-87-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[12068]; selected_pubchem_cids=[12068]; 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 |
| 251,081 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | rdkit_pre_consensus from 'C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N'; added: molecular_mass, monoisotopic_mass |
| 261,614 | consensus_match | altLabel | [] | [{"@value":"(3,5-Dinitrophenyl)amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | group_key=3,5-dinitroaniline||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=618-87-1; added Common Chemistry CAS names as altLabel: (3,5-Dinitrophenyl)amine, 1-Amino-3,5-dinitrobenzene, 3,5-Dinitrobenzenamine, Aniline, 3,5-dinitro-, Benzenamine, 3,5-dinitro-, Dinitroaniline, NSC 284; object_uuid=fo-ce3e9784543173dd |
| 261,615 | consensus_match | cas_match_labels | — | {"618-87-1":"exactMatch"} | group_key=3,5-dinitroaniline||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'618-87-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ce3e9784543173dd: {'618-87-1': 'exactMatch'} |
| 276,263 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,5-dinitroaniline' |
| 282,853 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | rdkit_post_consensus from 'Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,354 | strip_catalogue_altlabels | altLabel | [{"@value":"(3,5-Dinitrophenyl)amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | [{"@value":"(3,5-Dinitrophenyl)amine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | Removed 1 catalogue altLabel value(s): 'NSC 284' (registry code) |
| 303,841 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0def13c4-ea3e-… | associations resolved on the elementary layer |
| 390,610 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5N3O4"]… | typed the way the ontology types it |
| 398,292 | 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/20260821T1122181958110000/10068 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v0 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v1 |
| ef:activity/change/20260821T1122181958110000/10069 | name | ef:agent/bootstrap_labels | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v1 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v2 |
| ef:activity/change/20260821T1122181958110000/10070 | synonyms | ef:agent/bootstrap_labels | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v2 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v3 |
| ef:activity/change/20260821T1122181958110000/45634 | context | ef:agent/default_context_mapping | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v3 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v4 |
| ef:activity/change/20260821T1122181958110000/45635 | context_iri | ef:agent/default_context_mapping | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v4 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v5 |
| ef:activity/change/20260821T1122181958110000/216683 | unit_iri | ef:agent/unit_normalization | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v5 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v6 |
| ef:activity/change/20260821T1122181958110000/236793 | properties | ef:agent/enrich_references | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v6 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v7 |
| ef:activity/change/20260821T1122181958110000/236794 | skos_definition | ef:agent/enrich_references | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v7 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v8 |
| ef:activity/change/20260821T1122181958110000/236795 | references | ef:agent/enrich_references | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v8 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v9 |
| ef:activity/change/20260821T1122181958110000/251081 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v9 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v10 |
| ef:activity/change/20260821T1122181958110000/261614 | altLabel | ef:agent/consensus_match | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v10 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v11 |
| ef:activity/change/20260821T1122181958110000/261615 | cas_match_labels | ef:agent/consensus_match | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v11 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v12 |
| ef:activity/change/20260821T1122181958110000/276263 | properties | ef:agent/opsin_iupac | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v12 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v13 |
| ef:activity/change/20260821T1122181958110000/282853 | properties | ef:agent/rdkit_post_consensus | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v13 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v14 |
| ef:activity/change/20260821T1122181958110000/289354 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v14 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v15 |
| ef:activity/change/20260821T1122181958110000/303841 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v15 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v16 |
| ef:activity/change/20260821T1122181958110000/390610 | properties | ef:agent/normalise_property_values | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v16 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v17 |
| ef:activity/change/20260821T1122181958110000/398292 | types | ef:agent/link_flows_to_their_substance | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v17 | ef:flow/0def13c4-ea3e-42b2-ae48-7b67b9061a67/v18 |