2,5-dihydrothiophene 1,1-dioxide
Everything that changed this flow. Back to the flow
8a49a36c-1e39-401f-b986-79fa307fba20
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 2 catalogue altLabel value(s): 'NSC 48532' (registry code), 'NSC 56373' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,5-dihydrothiophene1,1-dioxide||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'77-79-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d2ed1462a10c594e: {'77-79-2': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['77-79-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[6498, 154270, 246161]; selected_pubchem_cids=[6498]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,434 | bootstrap_labels | prefLabel | — | [{"@value":"2,5-dihydrothiophene 1,1-dioxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov… | Bootstrapped prefLabel from legacy name field |
| 6,435 | bootstrap_labels | name | 2,5-dihydrothiophene 1,1-dioxide | — | Purged legacy name field to enforce prefLabel usage |
| 6,436 | bootstrap_labels | synonyms | ["organic","2,5-dihydrothiophene1,1-dioxide"] | [] | Removed legacy synonyms field in favor of structured labels |
| 132,066 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 132,067 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 215,488 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,362 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2S"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,363 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,364 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.000.964","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['77-79-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[6498, 154270, 246161]; selected_pubchem_cids=[6498]; 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 |
| 250,098 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2S"],… | rdkit_pre_consensus from 'C1C=CCS1(=O)=O'; added: molecular_mass, monoisotopic_mass |
| 260,026 | consensus_match | altLabel | [] | [{"@value":"2,5-Dihydro-1λ6-thiophene-1,1-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=2,5-dihydrothiophene1,1-dioxide||dimension=Environmental > media=Air > strata=Long-term; cas=77-79-2; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-1λ6-thiophene-1,1-dione, 2,5-Dihydrothiophen-1,1-dioxide, 2,5-Dihydrothiophene <em>S</em>,<em>S</em>-dioxide, 2,5-Dihydrothiophene dioxide, 2,5-Dihydrothiophene sulfone, 3-Sulfolene, Butadiene sulfone, NSC 48532, NSC 56373, Sulfolene, Sulpholene, Thiophene, 2,5-dihydro-, 1,1-dioxide, β-Sulfolene; object_uuid=fo-d2ed1462a10c594e |
| 260,027 | consensus_match | cas_match_labels | — | {"77-79-2":"exactMatch"} | group_key=2,5-dihydrothiophene1,1-dioxide||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'77-79-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d2ed1462a10c594e: {'77-79-2': 'exactMatch'} |
| 275,233 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2S"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,5-dihydrothiophene 1,1-dioxide' |
| 281,732 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2S"],… | rdkit_post_consensus from 'O=S1(=O)CC=CC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,560 | strip_catalogue_altlabels | altLabel | [{"@value":"2,5-Dihydro-1λ6-thiophene-1,1-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"2,5-Dihydro-1λ6-thiophene-1,1-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | Removed 2 catalogue altLabel value(s): 'NSC 48532' (registry code), 'NSC 56373' (registry code) |
| 347,021 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8a49a36c-1e39-… | associations resolved on the elementary layer |
| 389,530 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2S"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2S"],… | typed the way the ontology types it |
| 396,724 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T0609040591070000/6434 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v0 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v1 |
| ef:activity/change/20260821T0609040591070000/6435 | name | ef:agent/bootstrap_labels | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v1 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v2 |
| ef:activity/change/20260821T0609040591070000/6436 | synonyms | ef:agent/bootstrap_labels | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v2 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v3 |
| ef:activity/change/20260821T0609040591070000/132066 | context | ef:agent/default_context_mapping | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v3 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v4 |
| ef:activity/change/20260821T0609040591070000/132067 | context_iri | ef:agent/default_context_mapping | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v4 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v5 |
| ef:activity/change/20260821T0609040591070000/215488 | unit_iri | ef:agent/unit_normalization | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v5 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v6 |
| ef:activity/change/20260821T0609040591070000/233362 | properties | ef:agent/enrich_references | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v6 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v7 |
| ef:activity/change/20260821T0609040591070000/233363 | skos_definition | ef:agent/enrich_references | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v7 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v8 |
| ef:activity/change/20260821T0609040591070000/233364 | references | ef:agent/enrich_references | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v8 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v9 |
| ef:activity/change/20260821T0609040591070000/250098 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v9 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v10 |
| ef:activity/change/20260821T0609040591070000/260026 | altLabel | ef:agent/consensus_match | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v10 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v11 |
| ef:activity/change/20260821T0609040591070000/260027 | cas_match_labels | ef:agent/consensus_match | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v11 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v12 |
| ef:activity/change/20260821T0609040591070000/275233 | properties | ef:agent/opsin_iupac | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v12 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v13 |
| ef:activity/change/20260821T0609040591070000/281732 | properties | ef:agent/rdkit_post_consensus | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v13 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v14 |
| ef:activity/change/20260821T0609040591070000/288560 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v14 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v15 |
| ef:activity/change/20260821T0609040591070000/347021 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v15 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v16 |
| ef:activity/change/20260821T0609040591070000/389530 | properties | ef:agent/normalise_property_values | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v16 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v17 |
| ef:activity/change/20260821T0609040591070000/396724 | types | ef:agent/link_flows_to_their_substance | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v17 | ef:flow/8a49a36c-1e39-401f-b986-79fa307fba20/v18 |