1,3-Dinitrobenzene
Everything that changed this flow. Back to the flow
e2fba0ff-6555-11dd-ad8b-0800200c9a66
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 7189' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=99-65-0; cc_chebi_agreed_name='1,3-Dinitrobenzene'; object_uuid=fo-646525db2d5bcf58 |
| cas_match_labels | 1 | consensus_match | group_key=m-dinitrobenzene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-65-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-646525db2d5bcf58: {'99-65-0': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['99-65-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_51397']; candidate_pubchem_cids=[7452, 73297]; selected_pubchem_cids=[7452]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 23,230 | bootstrap_labels | prefLabel | — | [{"@value":"m-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 23,231 | bootstrap_labels | name | m-dinitrobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 25,545 | bootstrap_labels | synonyms | ["1,3-Dinitrobenzene","1,3-Dinitrobenzol","13-DINITROBENZENE","2,4-Dinitrobenzene","AB1003212","AC1L1OSJ","AC1Q1GYS","A… | [] | Removed legacy synonyms field in favor of structured labels |
| 185,808 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 185,809 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 220,642 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,287 | normalize_name_case | prefLabel | [{"@value":"m-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"M-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,853 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O4"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,854 | enrich_references | skos_definition | — | [{"@value":"A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups.","@language":"en","p… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,855 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.177K","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['99-65-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_51397']; candidate_pubchem_cids=[7452, 73297]; selected_pubchem_cids=[7452]; 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 |
| 254,279 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O4"]… | rdkit_pre_consensus from 'C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]'; added: monoisotopic_mass |
| 257,299 | chebi_altlabels | altLabel | [] | [{"@value":"1,3-Dinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,451 | consensus_match | prefLabel | [{"@value":"M-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"1,3-Dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedT… | cas=99-65-0; cc_chebi_agreed_name='1,3-Dinitrobenzene'; object_uuid=fo-646525db2d5bcf58 |
| 268,452 | consensus_match | altLabel | [{"@value":"1,3-Dinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"1,3-Dinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | cas=99-65-0; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-646525db2d5bcf58 |
| 268,453 | consensus_match | altLabel | [{"@value":"1,3-Dinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"1,3-Dinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | group_key=m-dinitrobenzene||dimension=Environmental > media=Air > indoor=Unknown; cas=99-65-0; added Common Chemistry CAS names as altLabel: Benzene, 1,3-dinitro-, Benzene, <em>m</em>-dinitro-, DNB, DNB (explosive), NSC 7189; object_uuid=fo-646525db2d5bcf58 |
| 268,454 | consensus_match | cas_match_labels | — | {"99-65-0":"exactMatch"} | group_key=m-dinitrobenzene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-65-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-646525db2d5bcf58: {'99-65-0': 'exactMatch'} |
| 279,510 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3-Dinitrobenzene' |
| 286,390 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O4"]… | rdkit_post_consensus from 'O=[N+]([O-])c1cccc([N+](=O)[O-])c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,719 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Dinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"1,3-Dinitrobenzol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Removed 1 catalogue altLabel value(s): 'NSC 7189' (registry code) |
| 373,924 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e2fba0ff-6555-… | associations resolved on the elementary layer |
| 393,901 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2O4"]… | typed the way the ontology types it |
| 403,153 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260820T1812399309960000/23230 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v0 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260820T1812399309960000/23231 | name | ef:agent/bootstrap_labels | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v1 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260820T1812399309960000/25545 | synonyms | ef:agent/bootstrap_labels | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v2 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260820T1812399309960000/185808 | context | ef:agent/default_context_mapping | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v3 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260820T1812399309960000/185809 | context_iri | ef:agent/default_context_mapping | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v4 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260820T1812399309960000/220642 | unit_iri | ef:agent/unit_normalization | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v5 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260820T1812399309960000/226287 | prefLabel | ef:agent/normalize_name_case | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v6 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260820T1812399309960000/247853 | properties | ef:agent/enrich_references | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v7 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260820T1812399309960000/247854 | skos_definition | ef:agent/enrich_references | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v8 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260820T1812399309960000/247855 | references | ef:agent/enrich_references | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v9 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260820T1812399309960000/254279 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v10 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260820T1812399309960000/257299 | altLabel | ef:agent/chebi_altlabels | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v11 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260820T1812399309960000/268451 | prefLabel | ef:agent/consensus_match | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v12 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260820T1812399309960000/268452 | altLabel | ef:agent/consensus_match | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v13 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260820T1812399309960000/268453 | altLabel | ef:agent/consensus_match | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v14 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260820T1812399309960000/268454 | cas_match_labels | ef:agent/consensus_match | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v15 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260820T1812399309960000/279510 | properties | ef:agent/opsin_iupac | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v16 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260820T1812399309960000/286390 | properties | ef:agent/rdkit_post_consensus | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v17 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260820T1812399309960000/291719 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v18 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260820T1812399309960000/373924 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v19 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v20 |
| ef:activity/change/20260820T1812399309960000/393901 | properties | ef:agent/normalise_property_values | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v20 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v21 |
| ef:activity/change/20260820T1812399309960000/403153 | types | ef:agent/link_flows_to_their_substance | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v21 | ef:flow/e2fba0ff-6555-11dd-ad8b-0800200c9a66/v22 |