Bis(trichloromethyl) Sulphone
Everything that changed this flow. Back to the flow
8dbccdd4-6466-451b-87ee-01090f7b292c
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'N 1386' (grade code), 'NSC 21713' (registry code), 'PCP 23052' (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=bis(trichloromethyl)sulphone||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3064-70-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-31755fb758215528: {'3064-70-8': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3064-70-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[62478]; selected_pubchem_cids=[62478]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,047 | bootstrap_labels | prefLabel | — | [{"@value":"bis(trichloromethyl) sulphone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Bootstrapped prefLabel from legacy name field |
| 18,048 | bootstrap_labels | name | bis(trichloromethyl) sulphone | — | Purged legacy name field to enforce prefLabel usage |
| 18,049 | bootstrap_labels | synonyms | ["AC1L1X7H","Bis(trichloromethyl) sulfone","Bis(trichloromethyl)sulfone","Chlorosulfona","Clorosulfona","Hexachlorodime… | [] | Removed legacy synonyms field in favor of structured labels |
| 134,132 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 134,133 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 219,247 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,214 | normalize_name_case | prefLabel | [{"@value":"bis(trichloromethyl) sulphone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | [{"@value":"Bis(trichloromethyl) Sulphone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,079 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2Cl6O2S"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,080 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,081 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J28.312F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['3064-70-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[62478]; selected_pubchem_cids=[62478]; 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 |
| 253,188 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2Cl6O2S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2Cl6O2S"]… | rdkit_pre_consensus from 'C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl'; added: molecular_mass, monoisotopic_mass |
| 264,380 | consensus_match | altLabel | [] | [{"@value":"1,1′-Sulfonylbis[1,1,1-trichloromethane]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=bis(trichloromethyl)sulphone||dimension=Environmental > media=Water > water_body=Unknown; cas=3064-70-8; added Common Chemistry CAS names as altLabel: 1,1′-Sulfonylbis[1,1,1-trichloromethane], Bis(trichloromethyl) sulfone, Chlorosulfona, Hexachlorodimethyl sulfone, Methane, 1,1′-sulfonylbis[1,1,1-trichloro-, Methane, sulfonylbis[trichloro-, N 1386, NSC 21713, PCP 23052, Slimicide E, Sulfone, bis(trichloromethyl); object_uuid=fo-31755fb758215528 |
| 264,381 | consensus_match | cas_match_labels | — | {"3064-70-8":"exactMatch"} | group_key=bis(trichloromethyl)sulphone||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3064-70-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-31755fb758215528: {'3064-70-8': 'exactMatch'} |
| 278,395 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2Cl6O2S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2Cl6O2S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Bis(trichloromethyl) Sulphone' |
| 285,154 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2Cl6O2S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2Cl6O2S"]… | rdkit_post_consensus from 'O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,894 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1′-Sulfonylbis[1,1,1-trichloromethane]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"1,1′-Sulfonylbis[1,1,1-trichloromethane]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Removed 3 catalogue altLabel value(s): 'N 1386' (grade code), 'NSC 21713' (registry code), 'PCP 23052' (grade code) |
| 348,062 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8dbccdd4-6466-… | associations resolved on the elementary layer |
| 392,760 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2Cl6O2S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2Cl6O2S"]… | typed the way the ontology types it |
| 401,383 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260822T0600486828500000/18047 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v0 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v1 |
| ef:activity/change/20260822T0600486828500000/18048 | name | ef:agent/bootstrap_labels | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v1 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v2 |
| ef:activity/change/20260822T0600486828500000/18049 | synonyms | ef:agent/bootstrap_labels | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v2 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v3 |
| ef:activity/change/20260822T0600486828500000/134132 | context | ef:agent/default_context_mapping | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v3 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v4 |
| ef:activity/change/20260822T0600486828500000/134133 | context_iri | ef:agent/default_context_mapping | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v4 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v5 |
| ef:activity/change/20260822T0600486828500000/219247 | unit_iri | ef:agent/unit_normalization | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v5 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v6 |
| ef:activity/change/20260822T0600486828500000/225214 | prefLabel | ef:agent/normalize_name_case | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v6 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v7 |
| ef:activity/change/20260822T0600486828500000/244079 | properties | ef:agent/enrich_references | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v7 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v8 |
| ef:activity/change/20260822T0600486828500000/244080 | skos_definition | ef:agent/enrich_references | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v8 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v9 |
| ef:activity/change/20260822T0600486828500000/244081 | references | ef:agent/enrich_references | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v9 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v10 |
| ef:activity/change/20260822T0600486828500000/253188 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v10 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v11 |
| ef:activity/change/20260822T0600486828500000/264380 | altLabel | ef:agent/consensus_match | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v11 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v12 |
| ef:activity/change/20260822T0600486828500000/264381 | cas_match_labels | ef:agent/consensus_match | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v12 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v13 |
| ef:activity/change/20260822T0600486828500000/278395 | properties | ef:agent/opsin_iupac | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v13 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v14 |
| ef:activity/change/20260822T0600486828500000/285154 | properties | ef:agent/rdkit_post_consensus | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v14 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v15 |
| ef:activity/change/20260822T0600486828500000/290894 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v15 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v16 |
| ef:activity/change/20260822T0600486828500000/348062 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v16 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v17 |
| ef:activity/change/20260822T0600486828500000/392760 | properties | ef:agent/normalise_property_values | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v17 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v18 |
| ef:activity/change/20260822T0600486828500000/401383 | types | ef:agent/link_flows_to_their_substance | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v18 | ef:flow/8dbccdd4-6466-451b-87ee-01090f7b292c/v19 |