Benzo[b]thiophene 1,1-dioxide
Everything that changed this flow. Back to the flow
d4be21ce-47f4-40cf-80cf-4d6f41eec926
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 1 catalogue altLabel value(s): 'NSC 82162' (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=benzo[b]thiophene1,1-dioxide||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'825-44-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f80021592590ea69: {'825-44-5': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['825-44-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[69997, 165646, 236735]; selected_pubchem_cids=[69997]; 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 |
|---|---|---|---|---|---|
| 1,772 | bootstrap_labels | prefLabel | — | [{"@value":"benzo[b]thiophene 1,1-dioxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Bootstrapped prefLabel from legacy name field |
| 1,773 | bootstrap_labels | name | benzo[b]thiophene 1,1-dioxide | — | Purged legacy name field to enforce prefLabel usage |
| 23,082 | bootstrap_labels | synonyms | ["1-Benzothiophene 1,1-dioxide","AC-907/25014199","AC1L2D4W","AC1Q6YQY","AC1Q6YS1","AKOS000279664","Benzo(b)thiophene 1… | [] | Removed legacy synonyms field in favor of structured labels |
| 175,808 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 175,809 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 213,935 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,510 | normalize_name_case | prefLabel | [{"@value":"benzo[b]thiophene 1,1-dioxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | [{"@value":"Benzo[b]thiophene 1,1-dioxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wa… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,893 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O2S"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,894 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,895 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.677.036A","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['825-44-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[69997, 165646, 236735]; selected_pubchem_cids=[69997]; 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 |
| 248,815 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O2S"],… | rdkit_pre_consensus from 'C1=CC=C2C(=C1)C=CS2(=O)=O'; added: molecular_mass, monoisotopic_mass |
| 264,156 | consensus_match | altLabel | [] | [{"@value":"1-Benzothiophene 1,1-dioxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | group_key=benzo[b]thiophene1,1-dioxide||dimension=Environmental > media=Air > indoor=Unknown; cas=825-44-5; added Common Chemistry CAS names as altLabel: 1-Benzothiophene 1,1-dioxide, 1<em>H</em>-1λ6-Benzo[<em>b</em>]thiophene-1,1-dione, Benzo[<em>b</em>]thiophene <em>S</em>,<em>S</em>-dioxide, Benzo[<em>b</em>]thiophene, 1,1-dioxide, Benzothiophene 1,1-dioxide, Benzothiophene <em>S</em>,<em>S</em>-dioxide, Benzothiophene sulfone, NSC 82162, Thianaphthene 1,1-dioxide, Thionaphthene 1,1-dioxide; object_uuid=fo-f80021592590ea69 |
| 264,157 | consensus_match | cas_match_labels | — | {"825-44-5":"exactMatch"} | group_key=benzo[b]thiophene1,1-dioxide||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'825-44-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f80021592590ea69: {'825-44-5': 'exactMatch'} |
| 273,953 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O2S"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Benzo[b]thiophene 1,1-dioxide' |
| 280,349 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O2S"],… | rdkit_post_consensus from 'O=S1(=O)C=Cc2ccccc21'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,628 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Benzothiophene 1,1-dioxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | [{"@value":"1-Benzothiophene 1,1-dioxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | Removed 1 catalogue altLabel value(s): 'NSC 82162' (registry code) |
| 368,950 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d4be21ce-47f4-… | associations resolved on the elementary layer |
| 388,243 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6O2S"],… | typed the way the ontology types it |
| 394,886 | 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/20260820T1555490862250000/1772 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v0 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v1 |
| ef:activity/change/20260820T1555490862250000/1773 | name | ef:agent/bootstrap_labels | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v1 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v2 |
| ef:activity/change/20260820T1555490862250000/23082 | synonyms | ef:agent/bootstrap_labels | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v2 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v3 |
| ef:activity/change/20260820T1555490862250000/175808 | context | ef:agent/default_context_mapping | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v3 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v4 |
| ef:activity/change/20260820T1555490862250000/175809 | context_iri | ef:agent/default_context_mapping | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v4 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v5 |
| ef:activity/change/20260820T1555490862250000/213935 | unit_iri | ef:agent/unit_normalization | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v5 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v6 |
| ef:activity/change/20260820T1555490862250000/221510 | prefLabel | ef:agent/normalize_name_case | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v6 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v7 |
| ef:activity/change/20260820T1555490862250000/228893 | properties | ef:agent/enrich_references | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v7 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v8 |
| ef:activity/change/20260820T1555490862250000/228894 | skos_definition | ef:agent/enrich_references | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v8 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v9 |
| ef:activity/change/20260820T1555490862250000/228895 | references | ef:agent/enrich_references | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v9 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v10 |
| ef:activity/change/20260820T1555490862250000/248815 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v10 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v11 |
| ef:activity/change/20260820T1555490862250000/264156 | altLabel | ef:agent/consensus_match | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v11 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v12 |
| ef:activity/change/20260820T1555490862250000/264157 | cas_match_labels | ef:agent/consensus_match | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v12 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v13 |
| ef:activity/change/20260820T1555490862250000/273953 | properties | ef:agent/opsin_iupac | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v13 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v14 |
| ef:activity/change/20260820T1555490862250000/280349 | properties | ef:agent/rdkit_post_consensus | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v14 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v15 |
| ef:activity/change/20260820T1555490862250000/287628 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v15 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v16 |
| ef:activity/change/20260820T1555490862250000/368950 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v16 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v17 |
| ef:activity/change/20260820T1555490862250000/388243 | properties | ef:agent/normalise_property_values | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v17 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v18 |
| ef:activity/change/20260820T1555490862250000/394886 | types | ef:agent/link_flows_to_their_substance | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v18 | ef:flow/d4be21ce-47f4-40cf-80cf-4d6f41eec926/v19 |