Pentachloronitrobenzene
Everything that changed this flow. Back to the flow
63fec9fb-2fd3-4bff-a632-7ec35a3ddee5
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 2 catalogue altLabel value(s): 'NSC 58427' (registry code), 'RTU 1010' (grade code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=pentachloronitrobenzene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'82-68-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-09c9a2e978b27301: {'82-68-8': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['82-68-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34908']; candidate_pubchem_cids=[6720]; selected_pubchem_cids=[6720]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 23,378 | bootstrap_labels | prefLabel | — | [{"@value":"pentachloronitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 23,379 | bootstrap_labels | name | pentachloronitrobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 23,380 | bootstrap_labels | synonyms | ["pentachloronitrobenzene","quintozene","quintozene(iso)","1,2,3,4,5-pentachloro-6-nitrobenzene","1,2,3,4,5-Pentachloro… | [] | Removed legacy synonyms field in favor of structured labels |
| 109,078 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 109,079 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 220,665 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,314 | normalize_name_case | prefLabel | [{"@value":"pentachloronitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"Pentachloronitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,890 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6Cl5NO2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,891 | enrich_references | skos_definition | — | [{"@value":"A C-nitro compound that is nitrobenzene in which every hydrogen has been replaced by a chlorine. A fungicid… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,892 | enrich_references | references | [] | [{"@id":"agr:IND86085618","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['82-68-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34908']; candidate_pubchem_cids=[6720]; selected_pubchem_cids=[6720]; 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 |
| 254,293 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6Cl5NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6Cl5NO2"]… | rdkit_pre_consensus from 'C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]'; added: monoisotopic_mass |
| 257,316 | chebi_altlabels | altLabel | [] | [{"@value":"1,2,3,4,5-pentachloro-6-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | Added 22 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,441 | consensus_match | altLabel | [{"@value":"1,2,3,4,5-pentachloro-6-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | [{"@value":"1,2,3,4,5-pentachloro-6-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | group_key=pentachloronitrobenzene||dimension=Environmental > media=Air > indoor=Unknown; cas=82-68-8; added Common Chemistry CAS names as altLabel: 1,2,3,4,5-Pentachloronitrobenzene, Avicol (pesticide), Benzene, 1,2,3,4,5-pentachloro-6-nitro-, Benzene, pentachloronitro-, Brassicol 75, Brassicol Super, Chinozan, Fomac 2, GC 3944-3-4, Kobutol, Korsikol, Marisan forte, NSC 58427, Plantacol, Quinosan, Quintozen, RTU 1010, RTU PCNB, Terraclor 30G, Terrazan, Terrazan F, Tritisan; object_uuid=fo-09c9a2e978b27301 |
| 270,442 | consensus_match | cas_match_labels | — | {"82-68-8":"exactMatch"} | group_key=pentachloronitrobenzene||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'82-68-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-09c9a2e978b27301: {'82-68-8': 'exactMatch'} |
| 279,547 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6Cl5NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6Cl5NO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Pentachloronitrobenzene' |
| 286,429 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6Cl5NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6Cl5NO2"]… | rdkit_post_consensus from 'O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,757 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2,3,4,5-pentachloro-6-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | [{"@value":"1,2,3,4,5-pentachloro-6-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","p… | Removed 2 catalogue altLabel value(s): 'NSC 58427' (registry code), 'RTU 1010' (grade code) |
| 335,557 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/63fec9fb-2fd3-… | associations resolved on the elementary layer |
| 393,945 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6Cl5NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6Cl5NO2"]… | typed the way the ontology types it |
| 403,211 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 403,212 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_33286","rdfs:label":"agrochemical","http://www.w3.org/2004/02/skos/core#d… | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260820T1416470405690000/23378 | prefLabel | ef:agent/bootstrap_labels | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v0 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v1 |
| ef:activity/change/20260820T1416470405690000/23379 | name | ef:agent/bootstrap_labels | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v1 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v2 |
| ef:activity/change/20260820T1416470405690000/23380 | synonyms | ef:agent/bootstrap_labels | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v2 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v3 |
| ef:activity/change/20260820T1416470405690000/109078 | context | ef:agent/default_context_mapping | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v3 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v4 |
| ef:activity/change/20260820T1416470405690000/109079 | context_iri | ef:agent/default_context_mapping | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v4 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v5 |
| ef:activity/change/20260820T1416470405690000/220665 | unit_iri | ef:agent/unit_normalization | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v5 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v6 |
| ef:activity/change/20260820T1416470405690000/226314 | prefLabel | ef:agent/normalize_name_case | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v6 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v7 |
| ef:activity/change/20260820T1416470405690000/247890 | properties | ef:agent/enrich_references | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v7 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v8 |
| ef:activity/change/20260820T1416470405690000/247891 | skos_definition | ef:agent/enrich_references | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v8 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v9 |
| ef:activity/change/20260820T1416470405690000/247892 | references | ef:agent/enrich_references | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v9 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v10 |
| ef:activity/change/20260820T1416470405690000/254293 | properties | ef:agent/rdkit_pre_consensus | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v10 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v11 |
| ef:activity/change/20260820T1416470405690000/257316 | altLabel | ef:agent/chebi_altlabels | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v11 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v12 |
| ef:activity/change/20260820T1416470405690000/270441 | altLabel | ef:agent/consensus_match | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v12 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v13 |
| ef:activity/change/20260820T1416470405690000/270442 | cas_match_labels | ef:agent/consensus_match | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v13 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v14 |
| ef:activity/change/20260820T1416470405690000/279547 | properties | ef:agent/opsin_iupac | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v14 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v15 |
| ef:activity/change/20260820T1416470405690000/286429 | properties | ef:agent/rdkit_post_consensus | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v15 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v16 |
| ef:activity/change/20260820T1416470405690000/291757 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v16 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v17 |
| ef:activity/change/20260820T1416470405690000/335557 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v17 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v18 |
| ef:activity/change/20260820T1416470405690000/393945 | properties | ef:agent/normalise_property_values | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v18 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v19 |
| ef:activity/change/20260820T1416470405690000/403211 | types | ef:agent/link_flows_to_their_substance | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v19 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v20 |
| ef:activity/change/20260820T1416470405690000/403212 | roles | ef:agent/link_flows_to_their_substance | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v20 | ef:flow/63fec9fb-2fd3-4bff-a632-7ec35a3ddee5/v21 |