Chloropicrin
Everything that changed this flow. Back to the flow
e2fab6af-6555-11dd-ad8b-0800200c9a66
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): 'G 25' (grade code), 'NSC 8743' (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=chloropicrin||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'76-06-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0884011d1467417: {'76-06-2': '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=['76-06-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_39285']; candidate_pubchem_cids=[6423]; selected_pubchem_cids=[6423]; 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 |
|---|---|---|---|---|---|
| 7,752 | bootstrap_labels | prefLabel | — | [{"@value":"chloropicrin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 7,753 | bootstrap_labels | name | chloropicrin | — | Purged legacy name field to enforce prefLabel usage |
| 7,754 | bootstrap_labels | synonyms | ["1,1,1-trichloronitromethane","AC1L1MI0","AC1Q1WP7","AC1Q3GMT","Aquinite","Chloorpikrine","Chlor-O-pic","Chloroform, n… | [] | Removed legacy synonyms field in favor of structured labels |
| 185,214 | 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) |
| 185,215 | 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) |
| 215,931 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,914 | normalize_name_case | prefLabel | [{"@value":"chloropicrin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Chloropicrin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 234,605 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CCl3NO2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 234,606 | enrich_references | skos_definition | — | [{"@value":"A C-nitro compound that is nitromethane in which all three hydrogens are replaced by chlorines. It is a sev… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,607 | enrich_references | references | [] | [{"@id":"gmelin:240197","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['76-06-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_39285']; candidate_pubchem_cids=[6423]; selected_pubchem_cids=[6423]; 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 |
| 250,452 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CCl3NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CCl3NO2"],… | rdkit_pre_consensus from 'C([N+](=O)[O-])(Cl)(Cl)Cl'; added: monoisotopic_mass |
| 255,437 | chebi_altlabels | altLabel | [] | [{"@value":"1,1,1-trichloronitromethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,110 | consensus_match | altLabel | [{"@value":"1,1,1-trichloronitromethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"1,1,1-trichloronitromethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | group_key=chloropicrin||dimension=Environmental > media=Air > strata=Unknown; cas=76-06-2; added Common Chemistry CAS names as altLabel: Acquinite, Chlor-O-Pic, Chlorpicrin, G 25, Larvacide, Methane, trichloronitro-, Microlysin, NSC 8743, Nitrochloroform, Nitrotrichloromethane, PS, Picfume, Quasar; object_uuid=fo-c0884011d1467417 |
| 265,111 | consensus_match | cas_match_labels | — | {"76-06-2":"exactMatch"} | group_key=chloropicrin||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'76-06-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0884011d1467417: {'76-06-2': 'exactMatch'} |
| 275,633 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CCl3NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CCl3NO2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Chloropicrin' |
| 282,166 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CCl3NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CCl3NO2"],… | rdkit_post_consensus from 'O=[N+]([O-])C(Cl)(Cl)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,874 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,1-trichloronitromethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"1,1,1-trichloronitromethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Removed 2 catalogue altLabel value(s): 'G 25' (grade code), 'NSC 8743' (registry code) |
| 373,654 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e2fab6af-6555-… | associations resolved on the elementary layer |
| 389,957 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CCl3NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["CCl3NO2"],… | typed the way the ontology types it |
| 397,353 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 397,354 | 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/20260820T0738569779880000/7752 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v0 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260820T0738569779880000/7753 | name | ef:agent/bootstrap_labels | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v1 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260820T0738569779880000/7754 | synonyms | ef:agent/bootstrap_labels | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v2 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260820T0738569779880000/185214 | context | ef:agent/default_context_mapping | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v3 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260820T0738569779880000/185215 | context_iri | ef:agent/default_context_mapping | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v4 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260820T0738569779880000/215931 | unit_iri | ef:agent/unit_normalization | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v5 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260820T0738569779880000/222914 | prefLabel | ef:agent/normalize_name_case | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v6 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260820T0738569779880000/234605 | properties | ef:agent/enrich_references | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v7 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260820T0738569779880000/234606 | skos_definition | ef:agent/enrich_references | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v8 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260820T0738569779880000/234607 | references | ef:agent/enrich_references | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v9 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260820T0738569779880000/250452 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v10 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260820T0738569779880000/255437 | altLabel | ef:agent/chebi_altlabels | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v11 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260820T0738569779880000/265110 | altLabel | ef:agent/consensus_match | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v12 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260820T0738569779880000/265111 | cas_match_labels | ef:agent/consensus_match | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v13 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260820T0738569779880000/275633 | properties | ef:agent/opsin_iupac | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v14 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260820T0738569779880000/282166 | properties | ef:agent/rdkit_post_consensus | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v15 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260820T0738569779880000/288874 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v16 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260820T0738569779880000/373654 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v17 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260820T0738569779880000/389957 | properties | ef:agent/normalise_property_values | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v18 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260820T0738569779880000/397353 | types | ef:agent/link_flows_to_their_substance | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v19 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v20 |
| ef:activity/change/20260820T0738569779880000/397354 | roles | ef:agent/link_flows_to_their_substance | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v20 | ef:flow/e2fab6af-6555-11dd-ad8b-0800200c9a66/v21 |