Sodium 3,5-dicarboxybenzenesulfonate
Everything that changed this flow. Back to the flow
54f73349-9b56-4bd0-b558-64daf195bf94
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=sodium3,5-dicarboxybenzenesulfonate||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=6362-79-4; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-sulfo-, monosodium salt, 1,3-Benzenedicarboxylic acid, 5-sulfo-, sodium salt (1:1), 5-Sodiosulfoisophthalic acid, 5-Sulfo-1,3-benzenedicarboxylic acid sodium salt, 5-Sulfoisophthalic acid monosodium salt, Delion HS, Isophthalic acid, 5-sulfo-, 5-sodium salt, Isophthalic acid, 5-sulfo-, monosodium salt, Monosodium 1,3-dicarboxybenzene-5-sulfonate, Monosodium 5-sulfatoisophthalate, Monosodium 5-sulfoisophthalate, Monosodium 5-sulfoisophthalic acid, Sodium 3,5-dicarboxybenzene-1-sulfonate, Sodium 5-sulfoisophthalate, Sodium 5-sulfoisophthalic acid, Sodium 5-sulfonatoisophthalate, Sulfoisophthalic acid sodium salt; object_uuid=fo-4935d4c753815d34 |
| cas_match_labels | 1 | consensus_match | group_key=sodium3,5-dicarboxybenzenesulfonate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6362-79-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4935d4c753815d34: {'6362-79-4': '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=['6362-79-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[8496, 5086466, 7017982, 21867906, 22323607, 23670844, 45157428, 57488606]; selected_pubchem_cids=[45157428]; 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 |
|---|---|---|---|---|---|
| 2,915 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 3,5-dicarboxybenzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 2,916 | bootstrap_labels | name | sodium 3,5-dicarboxybenzenesulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 2,917 | bootstrap_labels | synonyms | ["organic","sodiumhydrogen-5-sulphoisophthalate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 100,354 | 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) |
| 100,355 | 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) |
| 214,311 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,756 | normalize_name_case | prefLabel | [{"@value":"sodium 3,5-dicarboxybenzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"Sodium 3,5-dicarboxybenzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,982 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6NaO7S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,983 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,984 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=6362-79-4","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['6362-79-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[8496, 5086466, 7017982, 21867906, 22323607, 23670844, 45157428, 57488606]; selected_pubchem_cids=[45157428]; 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 |
| 249,125 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6NaO7S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6NaO7S"… | rdkit_pre_consensus from 'C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,747 | consensus_match | altLabel | [] | [{"@value":"1,3-Benzenedicarboxylic acid, 5-sulfo-, monosodium salt","@language":"en","source":{"prov:wasGeneratedBy":"… | group_key=sodium3,5-dicarboxybenzenesulfonate||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=6362-79-4; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-sulfo-, monosodium salt, 1,3-Benzenedicarboxylic acid, 5-sulfo-, sodium salt (1:1), 5-Sodiosulfoisophthalic acid, 5-Sulfo-1,3-benzenedicarboxylic acid sodium salt, 5-Sulfoisophthalic acid monosodium salt, Delion HS, Isophthalic acid, 5-sulfo-, 5-sodium salt, Isophthalic acid, 5-sulfo-, monosodium salt, Monosodium 1,3-dicarboxybenzene-5-sulfonate, Monosodium 5-sulfatoisophthalate, Monosodium 5-sulfoisophthalate, Monosodium 5-sulfoisophthalic acid, Sodium 3,5-dicarboxybenzene-1-sulfonate, Sodium 5-sulfoisophthalate, Sodium 5-sulfoisophthalic acid, Sodium 5-sulfonatoisophthalate, Sulfoisophthalic acid sodium salt; object_uuid=fo-4935d4c753815d34 |
| 271,748 | consensus_match | cas_match_labels | — | {"6362-79-4":"exactMatch"} | group_key=sodium3,5-dicarboxybenzenesulfonate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6362-79-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4935d4c753815d34: {'6362-79-4': 'exactMatch'} |
| 274,241 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6NaO7S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6NaO7S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 3,5-dicarboxybenzenesulfonate' |
| 280,669 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6NaO7S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H5NaO7S"… | rdkit_post_consensus from 'O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)[O-])c1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,775 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H5NaO7S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H5NaO7S"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 331,174 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/54f73349-9b56-… | associations resolved on the elementary layer |
| 395,314 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1302361922970000/2915 | prefLabel | ef:agent/bootstrap_labels | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v0 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v1 |
| ef:activity/change/20260821T1302361922970000/2916 | name | ef:agent/bootstrap_labels | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v1 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v2 |
| ef:activity/change/20260821T1302361922970000/2917 | synonyms | ef:agent/bootstrap_labels | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v2 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v3 |
| ef:activity/change/20260821T1302361922970000/100354 | context | ef:agent/default_context_mapping | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v3 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v4 |
| ef:activity/change/20260821T1302361922970000/100355 | context_iri | ef:agent/default_context_mapping | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v4 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v5 |
| ef:activity/change/20260821T1302361922970000/214311 | unit_iri | ef:agent/unit_normalization | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v5 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v6 |
| ef:activity/change/20260821T1302361922970000/221756 | prefLabel | ef:agent/normalize_name_case | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v6 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v7 |
| ef:activity/change/20260821T1302361922970000/229982 | properties | ef:agent/enrich_references | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v7 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v8 |
| ef:activity/change/20260821T1302361922970000/229983 | skos_definition | ef:agent/enrich_references | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v8 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v9 |
| ef:activity/change/20260821T1302361922970000/229984 | references | ef:agent/enrich_references | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v9 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v10 |
| ef:activity/change/20260821T1302361922970000/249125 | properties | ef:agent/rdkit_pre_consensus | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v10 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v11 |
| ef:activity/change/20260821T1302361922970000/271747 | altLabel | ef:agent/consensus_match | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v11 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v12 |
| ef:activity/change/20260821T1302361922970000/271748 | cas_match_labels | ef:agent/consensus_match | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v12 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v13 |
| ef:activity/change/20260821T1302361922970000/274241 | properties | ef:agent/opsin_iupac | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v13 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v14 |
| ef:activity/change/20260821T1302361922970000/280669 | properties | ef:agent/rdkit_post_consensus | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v14 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v15 |
| ef:activity/change/20260821T1302361922970000/286775 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v15 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v16 |
| ef:activity/change/20260821T1302361922970000/331174 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v16 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v17 |
| ef:activity/change/20260821T1302361922970000/395314 | types | ef:agent/link_flows_to_their_substance | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v17 | ef:flow/54f73349-9b56-4bd0-b558-64daf195bf94/v18 |