Sodium 3,5-dicarboxybenzenesulfonate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-4935d4c753815d34
Changes
54| # | 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 |
| 28,000 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 28,001 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 54,760 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 54,761 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 54,890 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 54,891 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 72,542 | 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 |
| 72,543 | 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 |
| 72,790 | 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 |
| 72,791 | 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 |
| 73,536 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 73,537 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 75,282 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 75,283 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 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) |
| 107,560 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 107,561 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 139,034 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 139,035 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 140,942 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 140,943 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 164,328 | 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 |
| 164,329 | 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 |
| 168,134 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 168,135 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 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 |
| 295,044 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/039ce9fb-47db-… | associations resolved on the elementary layer |
| 308,407 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1bd26727-e006-… | associations resolved on the elementary layer |
| 308,472 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1c01f584-918c-… | associations resolved on the elementary layer |
| 317,288 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/359e2a30-9690-… | associations resolved on the elementary layer |
| 317,412 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/361d5de7-aab1-… | associations resolved on the elementary layer |
| 317,784 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/377465ab-f1be-… | associations resolved on the elementary layer |
| 318,656 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3a61415f-16e8-… | associations resolved on the elementary layer |
| 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 |
| 334,778 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/615d3d25-8fd1-… | associations resolved on the elementary layer |
| 350,518 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9639d2c7-d93d-… | associations resolved on the elementary layer |