Sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate
Everything that changed this flow. Back to the flow
f7a955bf-be15-46cb-80ff-b39630db87e5
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 1 catalogue altLabel value(s): 'IB 45' (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-diisobutoxy-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'127-39-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f6dfe82ab0730f59: {'127-39-9': '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 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=['127-39-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[21881435, 23683016, 53445250]; selected_pubchem_cids=[53445250]; 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 |
|---|---|---|---|---|---|
| 19,530 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Bootstrapped prefLabel from legacy name field |
| 19,531 | bootstrap_labels | name | sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 19,532 | bootstrap_labels | synonyms | ["organic","sodium1,2-diisobutoxycarbonylethanesulphonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 198,549 | 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 |
| 198,550 | 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 |
| 219,696 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,527 | normalize_name_case | prefLabel | [{"@value":"sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"boots… | [{"@value":"Sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,328 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22NaO7… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,329 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,330 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=127-39-9","provenance":{"prov:wasGeneratedBy":"enrich_references… | Added references with provenance; cas_numbers=['127-39-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[21881435, 23683016, 53445250]; selected_pubchem_cids=[53445250]; 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 |
| 253,554 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22NaO7… | rdkit_pre_consensus from 'CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,679 | consensus_match | altLabel | [] | [{"@value":"Aerosol IB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"brig… | group_key=sodium1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Air > strata=Unknown; cas=127-39-9; added Common Chemistry CAS names as altLabel: Aerosol IB, Aerosol IB 45, Alphasol IB, Butanedioic acid, 2-sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt (1:1), Butanedioic acid, sulfo-, 1,4-bis(2-methylpropyl) ester, sodium salt, Di-2-methylpropyl sulfosuccinate sodium salt, Diisobutyl 2-sulfobutane-1,4-dioate sodium salt, Diisobutyl sodiosulfosuccinate, Diisobutyl sodium sulfosuccinate, Diisobutyl sulfosuccinate sodium salt, IB 45, Isobutyl sulfosuccinic acid monosodium salt diester, Manoxol IB, Monawet MB 100, Monawet MB 45, Monawet MB 70, Sodium 1,4-diisobutyl sulfosuccinate, Sodium diisobutyl sulfosuccinate, Succinic acid, sulfo-, 1,4-diisobutyl ester, sodium salt, Succinic acid, sulfo-, diisobutyl ester, <em>S</em>-sodium salt, Sulfosuccinic acid diisobutyl ester sodium salt; object_uuid=fo-f6dfe82ab0730f59 |
| 271,680 | consensus_match | cas_match_labels | — | {"127-39-9":"exactMatch"} | group_key=sodium1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'127-39-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f6dfe82ab0730f59: {'127-39-9': 'exactMatch'} |
| 278,772 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22NaO7… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 1,4-diisobutoxy-1,4-dioxobutane-2-sulfonate' |
| 285,556 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H21NaO7… | rdkit_post_consensus from 'CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,170 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H21NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H21NaO7… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 291,188 | strip_catalogue_altlabels | altLabel | [{"@value":"Aerosol IB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"brig… | [{"@value":"Aerosol IB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"brig… | Removed 1 catalogue altLabel value(s): 'IB 45' (grade code) |
| 380,340 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f7a955bf-be15-… | associations resolved on the elementary layer |
| 401,957 | 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/20261019T0712047113160000/19530 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v0 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v1 |
| ef:activity/change/20261019T0712047113160000/19531 | name | ef:agent/bootstrap_labels | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v1 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v2 |
| ef:activity/change/20261019T0712047113160000/19532 | synonyms | ef:agent/bootstrap_labels | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v2 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v3 |
| ef:activity/change/20261019T0712047113160000/198549 | context | ef:agent/default_context_mapping | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v3 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v4 |
| ef:activity/change/20261019T0712047113160000/198550 | context_iri | ef:agent/default_context_mapping | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v4 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v5 |
| ef:activity/change/20261019T0712047113160000/219696 | unit_iri | ef:agent/unit_normalization | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v5 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v6 |
| ef:activity/change/20261019T0712047113160000/225527 | prefLabel | ef:agent/normalize_name_case | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v6 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v7 |
| ef:activity/change/20261019T0712047113160000/245328 | properties | ef:agent/enrich_references | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v7 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v8 |
| ef:activity/change/20261019T0712047113160000/245329 | skos_definition | ef:agent/enrich_references | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v8 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v9 |
| ef:activity/change/20261019T0712047113160000/245330 | references | ef:agent/enrich_references | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v9 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v10 |
| ef:activity/change/20261019T0712047113160000/253554 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v10 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v11 |
| ef:activity/change/20261019T0712047113160000/271679 | altLabel | ef:agent/consensus_match | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v11 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v12 |
| ef:activity/change/20261019T0712047113160000/271680 | cas_match_labels | ef:agent/consensus_match | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v12 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v13 |
| ef:activity/change/20261019T0712047113160000/278772 | properties | ef:agent/opsin_iupac | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v13 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v14 |
| ef:activity/change/20261019T0712047113160000/285556 | properties | ef:agent/rdkit_post_consensus | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v14 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v15 |
| ef:activity/change/20261019T0712047113160000/287170 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v15 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v16 |
| ef:activity/change/20261019T0712047113160000/291188 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v16 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v17 |
| ef:activity/change/20261019T0712047113160000/380340 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v17 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v18 |
| ef:activity/change/20261019T0712047113160000/401957 | types | ef:agent/link_flows_to_their_substance | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v18 | ef:flow/f7a955bf-be15-46cb-80ff-b39630db87e5/v19 |