1,4-dinitrobenzene
Everything that changed this flow. Back to the flow
798a00da-56dd-49ba-a89f-4f842e750272
By field
14 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 3809' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1,4-dinitrobenzene||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-25-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4fb7433936bde6ab: {'100-25-4': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 202-833-7 from CAS 100-25-4 |
| 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=['100-25-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_51398']; candidate_pubchem_cids=[4592, 7492]; selected_pubchem_cids=[7492]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,273 | bootstrap_labels | prefLabel | — | [{"@value":"1,4-dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 16,274 | bootstrap_labels | name | 1,4-dinitrobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 16,275 | bootstrap_labels | synonyms | ["AC1L1OVS","AC1Q1XFE","AC1Q5AQB","AKOS003632345","Benzene, 1,4-dinitro-","Benzene, p-dinitro-","Dinitrobenzene, p-","D… | [] | Removed legacy synonyms field in favor of structured labels |
| 122,064 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 122,065 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 218,681 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,006 | ec_cross_check | ec_numbers | [] | ["202-833-7"] | Resolved from EC-inventory: 202-833-7 from CAS 100-25-4 |
| 242,488 | 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) |
| 242,489 | enrich_references | skos_definition | — | [{"@value":"A dinitrobenzene carrying nitro groups at positions 1 and 4.","@language":"en","provenance":{"prov:wasGener… | Merged ChEBI/PubChem definitions into skos:definition |
| 242,490 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.178I","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['100-25-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_51398']; candidate_pubchem_cids=[4592, 7492]; selected_pubchem_cids=[7492]; 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 |
| 252,732 | 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 |
| 256,533 | chebi_altlabels | altLabel | [] | [{"@value":"p-Dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,700 | consensus_match | altLabel | [{"@value":"p-Dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"p-Dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | group_key=1,4-dinitrobenzene||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=100-25-4; added Common Chemistry CAS names as altLabel: 1,4-Dintrobenzene, Benzene, 1,4-dinitro-, Benzene, <em>p</em>-dinitro-, NSC 3809, Para-dinitrobenzene; object_uuid=fo-4fb7433936bde6ab |
| 258,701 | consensus_match | cas_match_labels | — | {"100-25-4":"exactMatch"} | group_key=1,4-dinitrobenzene||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-25-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4fb7433936bde6ab: {'100-25-4': 'exactMatch'} |
| 277,935 | 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 '1,4-dinitrobenzene' |
| 284,649 | 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-])c1ccc([N+](=O)[O-])cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,547 | strip_catalogue_altlabels | altLabel | [{"@value":"p-Dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"p-Dinitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | Removed 1 catalogue altLabel value(s): 'NSC 3809' (registry code) |
| 342,023 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/798a00da-56dd-… | associations resolved on the elementary layer |
| 392,281 | 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 |
| 400,671 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T1812399309960000/16273 | prefLabel | ef:agent/bootstrap_labels | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v0 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v1 |
| ef:activity/change/20260820T1812399309960000/16274 | name | ef:agent/bootstrap_labels | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v1 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v2 |
| ef:activity/change/20260820T1812399309960000/16275 | synonyms | ef:agent/bootstrap_labels | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v2 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v3 |
| ef:activity/change/20260820T1812399309960000/122064 | context | ef:agent/default_context_mapping | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v3 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v4 |
| ef:activity/change/20260820T1812399309960000/122065 | context_iri | ef:agent/default_context_mapping | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v4 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v5 |
| ef:activity/change/20260820T1812399309960000/218681 | unit_iri | ef:agent/unit_normalization | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v5 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v6 |
| ef:activity/change/20260820T1812399309960000/227006 | ec_numbers | ef:agent/ec_cross_check | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v6 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v7 |
| ef:activity/change/20260820T1812399309960000/242488 | properties | ef:agent/enrich_references | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v7 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v8 |
| ef:activity/change/20260820T1812399309960000/242489 | skos_definition | ef:agent/enrich_references | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v8 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v9 |
| ef:activity/change/20260820T1812399309960000/242490 | references | ef:agent/enrich_references | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v9 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v10 |
| ef:activity/change/20260820T1812399309960000/252732 | properties | ef:agent/rdkit_pre_consensus | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v10 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v11 |
| ef:activity/change/20260820T1812399309960000/256533 | altLabel | ef:agent/chebi_altlabels | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v11 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v12 |
| ef:activity/change/20260820T1812399309960000/258700 | altLabel | ef:agent/consensus_match | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v12 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v13 |
| ef:activity/change/20260820T1812399309960000/258701 | cas_match_labels | ef:agent/consensus_match | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v13 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v14 |
| ef:activity/change/20260820T1812399309960000/277935 | properties | ef:agent/opsin_iupac | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v14 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v15 |
| ef:activity/change/20260820T1812399309960000/284649 | properties | ef:agent/rdkit_post_consensus | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v15 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v16 |
| ef:activity/change/20260820T1812399309960000/290547 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v16 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v17 |
| ef:activity/change/20260820T1812399309960000/342023 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v17 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v18 |
| ef:activity/change/20260820T1812399309960000/392281 | properties | ef:agent/normalise_property_values | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v18 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v19 |
| ef:activity/change/20260820T1812399309960000/400671 | types | ef:agent/link_flows_to_their_substance | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v19 | ef:flow/798a00da-56dd-49ba-a89f-4f842e750272/v20 |