Sodium 4-hydroxybenzenesulphonate
Everything that changed this flow. Back to the flow
b8a989c6-7c73-4de9-8b65-d789a3f1f07e
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=sodium4-hydroxybenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'825-90-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9b33eb7e24e73886: {'825-90-1': '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 air > Emissions to air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, 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=['825-90-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[180790, 245548, 4379756, 19982886, 23666329, 24193063, 59073817]; selected_pubchem_cids=[24193063]; 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 |
|---|---|---|---|---|---|
| 12,819 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 4-hydroxybenzenesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 12,820 | bootstrap_labels | name | sodium 4-hydroxybenzenesulphonate | — | Purged legacy name field to enforce prefLabel usage |
| 12,821 | bootstrap_labels | synonyms | ["4-Hydroxybenzenesulfonic acid sodium salt","4-Hydroxybenzenesulfonic acid, monosodium salt","AC1N94ET","AC1Q1W2E","AK… | [] | Removed legacy synonyms field in favor of structured labels |
| 159,428 | 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) |
| 159,429 | 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) |
| 217,578 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,065 | normalize_name_case | prefLabel | [{"@value":"sodium 4-hydroxybenzenesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"Sodium 4-hydroxybenzenesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,349 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6NaO4S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,350 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,351 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=28469-73-0","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['825-90-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[180790, 245548, 4379756, 19982886, 23666329, 24193063, 59073817]; selected_pubchem_cids=[24193063]; 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 |
| 251,814 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6NaO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6NaO4S"… | rdkit_pre_consensus from 'C1=CC(=CC=C1O)S(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,807 | consensus_match | altLabel | [] | [{"@value":"4-Hydroxybenzenesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | group_key=sodium4-hydroxybenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; cas=825-90-1; added Common Chemistry CAS names as altLabel: 4-Hydroxybenzenesulfonic acid sodium salt, <em>p</em>-Hydroxybenzenesulfonic acid monosodium salt, <em>p</em>-Hydroxybenzenesulfonic acid sodium salt, <em>p</em>-Phenolsulfonic acid sodium salt, Benzenesulfonic acid, 4-hydroxy-, monosodium salt, Benzenesulfonic acid, 4-hydroxy-, sodium salt (1:1), Benzenesulfonic acid, <em>p</em>-hydroxy-, monosodium salt, Sodium 4-hydroxybenzenesulfonate, Sodium <em>p</em>-hydroxybenzenesulfonate, Sodium <em>p</em>-hydroxyphenylsulfonate, Sodium <em>p</em>-phenolsulfonate; object_uuid=fo-9b33eb7e24e73886 |
| 271,808 | consensus_match | cas_match_labels | — | {"825-90-1":"exactMatch"} | group_key=sodium4-hydroxybenzenesulphonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'825-90-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9b33eb7e24e73886: {'825-90-1': 'exactMatch'} |
| 277,005 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6NaO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6NaO4S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 4-hydroxybenzenesulphonate' |
| 283,657 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6NaO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NaO4S"… | rdkit_post_consensus from 'O=S(=O)([O-])c1ccc(O)cc1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,004 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NaO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NaO4S"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,655 | dedupe_altlabels | altLabel | [{"@value":"4-Hydroxybenzenesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | [{"@value":"4-Hydroxybenzenesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | Deduplicated altLabel values and removed entries matching prefLabel |
| 360,738 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b8a989c6-7c73-… | associations resolved on the elementary layer |
| 399,354 | 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/20260821T1554374006150000/12819 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v0 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v1 |
| ef:activity/change/20260821T1554374006150000/12820 | name | ef:agent/bootstrap_labels | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v1 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v2 |
| ef:activity/change/20260821T1554374006150000/12821 | synonyms | ef:agent/bootstrap_labels | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v2 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v3 |
| ef:activity/change/20260821T1554374006150000/159428 | context | ef:agent/default_context_mapping | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v3 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v4 |
| ef:activity/change/20260821T1554374006150000/159429 | context_iri | ef:agent/default_context_mapping | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v4 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v5 |
| ef:activity/change/20260821T1554374006150000/217578 | unit_iri | ef:agent/unit_normalization | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v5 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v6 |
| ef:activity/change/20260821T1554374006150000/224065 | prefLabel | ef:agent/normalize_name_case | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v6 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v7 |
| ef:activity/change/20260821T1554374006150000/239349 | properties | ef:agent/enrich_references | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v7 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v8 |
| ef:activity/change/20260821T1554374006150000/239350 | skos_definition | ef:agent/enrich_references | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v8 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v9 |
| ef:activity/change/20260821T1554374006150000/239351 | references | ef:agent/enrich_references | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v9 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v10 |
| ef:activity/change/20260821T1554374006150000/251814 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v10 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v11 |
| ef:activity/change/20260821T1554374006150000/271807 | altLabel | ef:agent/consensus_match | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v11 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v12 |
| ef:activity/change/20260821T1554374006150000/271808 | cas_match_labels | ef:agent/consensus_match | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v12 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v13 |
| ef:activity/change/20260821T1554374006150000/277005 | properties | ef:agent/opsin_iupac | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v13 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v14 |
| ef:activity/change/20260821T1554374006150000/283657 | properties | ef:agent/rdkit_post_consensus | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v14 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v15 |
| ef:activity/change/20260821T1554374006150000/287004 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v15 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v16 |
| ef:activity/change/20260821T1554374006150000/292655 | altLabel | ef:agent/dedupe_altlabels | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v16 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v17 |
| ef:activity/change/20260821T1554374006150000/360738 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v17 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v18 |
| ef:activity/change/20260821T1554374006150000/399354 | types | ef:agent/link_flows_to_their_substance | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v18 | ef:flow/b8a989c6-7c73-4de9-8b65-d789a3f1f07e/v19 |