Diphenyl sulfoxide
Everything that changed this flow. Back to the flow
198bd14e-eedd-4f96-9345-b164e718b12e
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 630195' (registry code), 'NSC 6779' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=945-51-7; cc_chebi_agreed_name='Diphenyl sulfoxide'; object_uuid=fo-00d4c4bf2f1914b9 |
| cas_match_labels | 1 | consensus_match | group_key=diphenylsulphoxide||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'945-51-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00d4c4bf2f1914b9: {'945-51-7': '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=['945-51-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_177532']; candidate_pubchem_cids=[13679, 66905]; selected_pubchem_cids=[13679]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,276 | bootstrap_labels | prefLabel | — | [{"@value":"diphenyl sulphoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 16,277 | bootstrap_labels | name | diphenyl sulphoxide | — | Purged legacy name field to enforce prefLabel usage |
| 16,278 | bootstrap_labels | synonyms | ["1,1'-sulfinyldibenzene","2Ph-SO","AC1L228Y","AE-848/32195054","BENZENE, 1,1'-SULFINYLBIS-","CPD0-2089","Diphenyl sulf… | [] | Removed legacy synonyms field in favor of structured labels |
| 53,402 | 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) |
| 53,403 | 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) |
| 218,682 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,828 | normalize_name_case | prefLabel | [{"@value":"diphenyl sulphoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Diphenyl Sulphoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,491 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H10OS"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,492 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,493 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.183H","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['945-51-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_177532']; candidate_pubchem_cids=[13679, 66905]; selected_pubchem_cids=[13679]; 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 |
| 252,733 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H10OS"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H10OS"]… | rdkit_pre_consensus from 'C1=CC=C(C=C1)S(=O)C2=CC=CC=C2'; added: monoisotopic_mass |
| 256,534 | chebi_altlabels | altLabel | [] | [{"@value":"benzenesulinylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,246 | consensus_match | prefLabel | [{"@value":"Diphenyl Sulphoxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Diphenyl sulfoxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedT… | cas=945-51-7; cc_chebi_agreed_name='Diphenyl sulfoxide'; object_uuid=fo-00d4c4bf2f1914b9 |
| 266,247 | consensus_match | altLabel | [{"@value":"benzenesulinylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"benzenesulinylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | cas=945-51-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-00d4c4bf2f1914b9 |
| 266,248 | consensus_match | altLabel | [{"@value":"benzenesulinylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"benzenesulinylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=diphenylsulphoxide||dimension=Environmental > media=Water > water_body=Long-term; cas=945-51-7; added Common Chemistry CAS names as altLabel: (Benzenesulfinyl)benzene, 1,1′-Sulfinylbis[benzene], Benzene, 1,1′-sulfinylbis-, NSC 630195, NSC 6779, Phenyl sulfoxide, Sulfinyldibenzene; object_uuid=fo-00d4c4bf2f1914b9 |
| 266,249 | consensus_match | cas_match_labels | — | {"945-51-7":"exactMatch"} | group_key=diphenylsulphoxide||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'945-51-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-00d4c4bf2f1914b9: {'945-51-7': 'exactMatch'} |
| 277,939 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H10OS"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H10OS"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diphenyl sulfoxide' |
| 284,655 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H10OS"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H10OS"]… | rdkit_post_consensus from 'O=S(c1ccccc1)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,555 | strip_catalogue_altlabels | altLabel | [{"@value":"benzenesulinylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"benzenesulinylbenzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 2 catalogue altLabel value(s): 'NSC 630195' (registry code), 'NSC 6779' (registry code) |
| 307,728 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/198bd14e-eedd-… | associations resolved on the elementary layer |
| 392,290 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H10OS"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H10OS"]… | typed the way the ontology types it |
| 400,682 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260822T0600486828500000/16276 | prefLabel | ef:agent/bootstrap_labels | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v0 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v1 |
| ef:activity/change/20260822T0600486828500000/16277 | name | ef:agent/bootstrap_labels | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v1 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v2 |
| ef:activity/change/20260822T0600486828500000/16278 | synonyms | ef:agent/bootstrap_labels | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v2 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v3 |
| ef:activity/change/20260822T0600486828500000/53402 | context | ef:agent/default_context_mapping | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v3 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v4 |
| ef:activity/change/20260822T0600486828500000/53403 | context_iri | ef:agent/default_context_mapping | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v4 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v5 |
| ef:activity/change/20260822T0600486828500000/218682 | unit_iri | ef:agent/unit_normalization | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v5 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v6 |
| ef:activity/change/20260822T0600486828500000/224828 | prefLabel | ef:agent/normalize_name_case | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v6 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v7 |
| ef:activity/change/20260822T0600486828500000/242491 | properties | ef:agent/enrich_references | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v7 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v8 |
| ef:activity/change/20260822T0600486828500000/242492 | skos_definition | ef:agent/enrich_references | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v8 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v9 |
| ef:activity/change/20260822T0600486828500000/242493 | references | ef:agent/enrich_references | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v9 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v10 |
| ef:activity/change/20260822T0600486828500000/252733 | properties | ef:agent/rdkit_pre_consensus | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v10 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v11 |
| ef:activity/change/20260822T0600486828500000/256534 | altLabel | ef:agent/chebi_altlabels | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v11 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v12 |
| ef:activity/change/20260822T0600486828500000/266246 | prefLabel | ef:agent/consensus_match | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v12 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v13 |
| ef:activity/change/20260822T0600486828500000/266247 | altLabel | ef:agent/consensus_match | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v13 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v14 |
| ef:activity/change/20260822T0600486828500000/266248 | altLabel | ef:agent/consensus_match | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v14 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v15 |
| ef:activity/change/20260822T0600486828500000/266249 | cas_match_labels | ef:agent/consensus_match | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v15 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v16 |
| ef:activity/change/20260822T0600486828500000/277939 | properties | ef:agent/opsin_iupac | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v16 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v17 |
| ef:activity/change/20260822T0600486828500000/284655 | properties | ef:agent/rdkit_post_consensus | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v17 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v18 |
| ef:activity/change/20260822T0600486828500000/290555 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v18 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v19 |
| ef:activity/change/20260822T0600486828500000/307728 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v19 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v20 |
| ef:activity/change/20260822T0600486828500000/392290 | properties | ef:agent/normalise_property_values | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v20 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v21 |
| ef:activity/change/20260822T0600486828500000/400682 | types | ef:agent/link_flows_to_their_substance | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v21 | ef:flow/198bd14e-eedd-4f96-9345-b164e718b12e/v22 |