Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate
Everything that changed this flow. Back to the flow
2896c1f4-a354-45f8-9197-1d7b78a01d11
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'A 196' (grade code), 'B 196' (grade code), 'MA 80' (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=sodium1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'23386-52-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-759f99ad8c4756e4: {'23386-52-9': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['23386-52-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[90918, 23692768, 86744986]; selected_pubchem_cids=[86744986]; 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 |
|---|---|---|---|---|---|
| 19,503 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate","@language":"en","source":{"prov:wasGeneratedBy"… | Bootstrapped prefLabel from legacy name field |
| 19,504 | bootstrap_labels | name | sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 19,505 | bootstrap_labels | synonyms | ["organic","sodium1,4-dicyclohexylsulphonatosuccinate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 63,150 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 63,151 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 219,685 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,518 | normalize_name_case | prefLabel | [{"@value":"sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate","@language":"en","source":{"prov:wasGeneratedBy"… | [{"@value":"Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate","@language":"en","source":{"prov:wasGeneratedBy"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,300 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26NaO7… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,301 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,302 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=23386-52-9","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['23386-52-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[90918, 23692768, 86744986]; selected_pubchem_cids=[86744986]; 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 |
| 253,540 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26NaO7… | rdkit_pre_consensus from 'C1CCC(CC1)OC(=O)CC(C(=O)OC2CCCCC2)S(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,667 | consensus_match | altLabel | [] | [{"@value":"A 196","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus… | group_key=sodium1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Water > water_body=Surface water; cas=23386-52-9; added Common Chemistry CAS names as altLabel: A 196, Aerosol A 196, B 196, Butanedioic acid, 2-sulfo-, 1,4-dicyclohexyl ester, sodium salt (1:1), Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt, Dicyclohexyl sodiosulfosuccinate, Gemtex 691-40, MA 80, Pelex CS, Sodium dicyclohexyl sulfosuccinate, Succinic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt, Succinic acid, sulfo-, dicyclohexyl ester, sodium salt; object_uuid=fo-759f99ad8c4756e4 |
| 271,668 | consensus_match | cas_match_labels | — | {"23386-52-9":"exactMatch"} | group_key=sodium1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'23386-52-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-759f99ad8c4756e4: {'23386-52-9': 'exactMatch'} |
| 278,756 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26NaO7… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate' |
| 285,540 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H26NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H25NaO7… | rdkit_post_consensus from 'O=C(CC(C(=O)OC1CCCCC1)S(=O)(=O)[O-])OC1CCCCC1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,153 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H25NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H25NaO7… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 291,168 | strip_catalogue_altlabels | altLabel | [{"@value":"A 196","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus… | [{"@value":"Aerosol A 196","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | Removed 3 catalogue altLabel value(s): 'A 196' (grade code), 'B 196' (grade code), 'MA 80' (grade code) |
| 312,593 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2896c1f4-a354-… | associations resolved on the elementary layer |
| 401,916 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1302361922970000/19503 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v0 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v1 |
| ef:activity/change/20260821T1302361922970000/19504 | name | ef:agent/bootstrap_labels | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v1 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v2 |
| ef:activity/change/20260821T1302361922970000/19505 | synonyms | ef:agent/bootstrap_labels | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v2 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v3 |
| ef:activity/change/20260821T1302361922970000/63150 | context | ef:agent/default_context_mapping | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v3 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v4 |
| ef:activity/change/20260821T1302361922970000/63151 | context_iri | ef:agent/default_context_mapping | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v4 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v5 |
| ef:activity/change/20260821T1302361922970000/219685 | unit_iri | ef:agent/unit_normalization | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v5 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v6 |
| ef:activity/change/20260821T1302361922970000/225518 | prefLabel | ef:agent/normalize_name_case | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v6 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v7 |
| ef:activity/change/20260821T1302361922970000/245300 | properties | ef:agent/enrich_references | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v7 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v8 |
| ef:activity/change/20260821T1302361922970000/245301 | skos_definition | ef:agent/enrich_references | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v8 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v9 |
| ef:activity/change/20260821T1302361922970000/245302 | references | ef:agent/enrich_references | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v9 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v10 |
| ef:activity/change/20260821T1302361922970000/253540 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v10 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v11 |
| ef:activity/change/20260821T1302361922970000/271667 | altLabel | ef:agent/consensus_match | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v11 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v12 |
| ef:activity/change/20260821T1302361922970000/271668 | cas_match_labels | ef:agent/consensus_match | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v12 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v13 |
| ef:activity/change/20260821T1302361922970000/278756 | properties | ef:agent/opsin_iupac | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v13 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v14 |
| ef:activity/change/20260821T1302361922970000/285540 | properties | ef:agent/rdkit_post_consensus | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v14 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v15 |
| ef:activity/change/20260821T1302361922970000/287153 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v15 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v16 |
| ef:activity/change/20260821T1302361922970000/291168 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v16 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v17 |
| ef:activity/change/20260821T1302361922970000/312593 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v17 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v18 |
| ef:activity/change/20260821T1302361922970000/401916 | types | ef:agent/link_flows_to_their_substance | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v18 | ef:flow/2896c1f4-a354-45f8-9197-1d7b78a01d11/v19 |