Pentachlorobenzene
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-a29f-0050c2490048
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 1857' (registry 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=pentachlorobenzene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'608-93-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7d86434b37b1f43e: {'608-93-5': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['608-93-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_47136']; candidate_pubchem_cids=[11855]; selected_pubchem_cids=[11855]; 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 |
|---|---|---|---|---|---|
| 15,382 | bootstrap_labels | prefLabel | — | [{"@value":"pentachlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 15,383 | bootstrap_labels | name | pentachlorobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 15,384 | bootstrap_labels | synonyms | ["1,2,3,4,5-Pentachlorobenzene","5CL","AC1L1YAF","AC1Q3I5Y","Benzene, 1,2,3,4,5-pentachloro-","Benzene, pentachloro-","… | [] | Removed legacy synonyms field in favor of structured labels |
| 204,576 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 204,577 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 218,401 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,630 | normalize_name_case | prefLabel | [{"@value":"pentachlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Pentachlorobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,695 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HCl5"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 241,696 | enrich_references | skos_definition | — | [{"@value":"A member of the class of pentachlorobenzenes that is benzene in which five of the hydrogens are replaced by… | Merged ChEBI/PubChem definitions into skos:definition |
| 241,697 | enrich_references | references | [] | [{"@id":"beilstein:1911550","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['608-93-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_47136']; candidate_pubchem_cids=[11855]; selected_pubchem_cids=[11855]; 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 |
| 252,499 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HCl5"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HCl5"],"… | rdkit_pre_consensus from 'C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl'; added: monoisotopic_mass |
| 256,421 | chebi_altlabels | altLabel | [] | [{"@value":"1,2,3,4,5-PENTACHLOROBENZENE","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,415 | consensus_match | altLabel | [{"@value":"1,2,3,4,5-PENTACHLOROBENZENE","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"1,2,3,4,5-PENTACHLOROBENZENE","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | group_key=pentachlorobenzene||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=608-93-5; added Common Chemistry CAS names as altLabel: 2,3,4,5,6-Pentachlorobenzene, Benzene, 1,2,3,4,5-pentachloro-, Benzene, pentachloro-, NSC 1857; object_uuid=fo-7d86434b37b1f43e |
| 270,416 | consensus_match | cas_match_labels | — | {"608-93-5":"exactMatch"} | group_key=pentachlorobenzene||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'608-93-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7d86434b37b1f43e: {'608-93-5': 'exactMatch'} |
| 277,699 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HCl5"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HCl5"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Pentachlorobenzene' |
| 284,398 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HCl5"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HCl5"],"… | rdkit_post_consensus from 'Clc1cc(Cl)c(Cl)c(Cl)c1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,392 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2,3,4,5-PENTACHLOROBENZENE","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"1,2,3,4,5-PENTACHLOROBENZENE","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Removed 1 catalogue altLabel value(s): 'NSC 1857' (registry code) |
| 383,322 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 392,053 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HCl5"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6HCl5"],"… | typed the way the ontology types it |
| 400,348 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 400,349 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_78298","rdfs:label":"environmental contaminant","http://www.w3.org/2004/0… | 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/20260822T0600486828500000/15382 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/15383 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/15384 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/204576 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/204577 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/218401 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/224630 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/241695 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/241696 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/241697 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/252499 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/256421 | altLabel | ef:agent/chebi_altlabels | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/270415 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/270416 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/277699 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/284398 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/290392 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/383322 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/392053 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/400348 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v19 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v20 |
| ef:activity/change/20260822T0600486828500000/400349 | roles | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v20 | ef:flow/fe0acd60-3ddc-11dd-a29f-0050c2490048/v21 |