Sodium 4-methylbenzenesulfonate
Everything that changed this flow. Back to the flow
a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e
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-methylbenzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'657-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-421614b7472abb53: {'657-84-1': '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 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=['657-84-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[6101, 3720192, 21924273, 23707900, 23709171, 24195884, 73995052, 161326319]; selected_pubchem_cids=[24195884]; 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 |
|---|---|---|---|---|---|
| 13,499 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 4-methylbenzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 13,500 | bootstrap_labels | name | sodium 4-methylbenzenesulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 13,501 | bootstrap_labels | synonyms | ["organic","sodiumtoluene-4-sulphonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 146,772 | 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 |
| 146,773 | 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 |
| 217,799 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,217 | normalize_name_case | prefLabel | [{"@value":"sodium 4-methylbenzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"Sodium 4-methylbenzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,973 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8NaO3S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,974 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,975 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.010.476","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['657-84-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[6101, 3720192, 21924273, 23707900, 23709171, 24195884, 73995052, 161326319]; selected_pubchem_cids=[24195884]; 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 |
| 251,998 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8NaO3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8NaO3S"… | rdkit_pre_consensus from 'CC1=CC=C(C=C1)S(=O)(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,811 | consensus_match | altLabel | [] | [{"@value":"4-Methylbenzenesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=sodium4-methylbenzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=657-84-1; added Common Chemistry CAS names as altLabel: 4-Methylbenzenesulfonic acid sodium salt, 4-Toluenesulfonic acid sodium salt, <em>p</em>-Toluenesulfonic acid, sodium salt, Benzenesulfonic acid, 4-methyl-, sodium salt, Benzenesulfonic acid, 4-methyl-, sodium salt (1:1), Chemguard NATS, Cyclophil STS 70, Eltesol ST 34, Eltesol ST 90, Naxonate ST, Pilot STS 32, Sodium 4-toluenesulfonate, Sodium <em>p</em>-methylbenzenesulfonate, Sodium <em>p</em>-toluenesulfonate, Sodium <em>p</em>-toluensulfonate, Sodium <em>p</em>-tolyl sulfonate, Sodium methylbenzenesulfonate, Sodium toluenesulfonate, Sodium tosylate, Taycatox N 3000, Toluenesulfonic acid sodium salt; object_uuid=fo-421614b7472abb53 |
| 271,812 | consensus_match | cas_match_labels | — | {"657-84-1":"exactMatch"} | group_key=sodium4-methylbenzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'657-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-421614b7472abb53: {'657-84-1': 'exactMatch'} |
| 277,194 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8NaO3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8NaO3S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 4-methylbenzenesulfonate' |
| 283,857 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H8NaO3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NaO3S"… | rdkit_post_consensus from 'Cc1ccc(S(=O)(=O)[O-])cc1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,022 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NaO3S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NaO3S"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,693 | dedupe_altlabels | altLabel | [{"@value":"4-Methylbenzenesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"4-Methylbenzenesulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | Deduplicated altLabel values and removed entries matching prefLabel |
| 354,408 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a2e292ab-a9cc-… | associations resolved on the elementary layer |
| 399,624 | 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/20260821T1302361922970000/13499 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v0 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v1 |
| ef:activity/change/20260821T1302361922970000/13500 | name | ef:agent/bootstrap_labels | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v1 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v2 |
| ef:activity/change/20260821T1302361922970000/13501 | synonyms | ef:agent/bootstrap_labels | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v2 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v3 |
| ef:activity/change/20260821T1302361922970000/146772 | context | ef:agent/default_context_mapping | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v3 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v4 |
| ef:activity/change/20260821T1302361922970000/146773 | context_iri | ef:agent/default_context_mapping | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v4 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v5 |
| ef:activity/change/20260821T1302361922970000/217799 | unit_iri | ef:agent/unit_normalization | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v5 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v6 |
| ef:activity/change/20260821T1302361922970000/224217 | prefLabel | ef:agent/normalize_name_case | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v6 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v7 |
| ef:activity/change/20260821T1302361922970000/239973 | properties | ef:agent/enrich_references | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v7 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v8 |
| ef:activity/change/20260821T1302361922970000/239974 | skos_definition | ef:agent/enrich_references | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v8 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v9 |
| ef:activity/change/20260821T1302361922970000/239975 | references | ef:agent/enrich_references | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v9 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v10 |
| ef:activity/change/20260821T1302361922970000/251998 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v10 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v11 |
| ef:activity/change/20260821T1302361922970000/271811 | altLabel | ef:agent/consensus_match | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v11 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v12 |
| ef:activity/change/20260821T1302361922970000/271812 | cas_match_labels | ef:agent/consensus_match | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v12 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v13 |
| ef:activity/change/20260821T1302361922970000/277194 | properties | ef:agent/opsin_iupac | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v13 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v14 |
| ef:activity/change/20260821T1302361922970000/283857 | properties | ef:agent/rdkit_post_consensus | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v14 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v15 |
| ef:activity/change/20260821T1302361922970000/287022 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v15 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v16 |
| ef:activity/change/20260821T1302361922970000/292693 | altLabel | ef:agent/dedupe_altlabels | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v16 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v17 |
| ef:activity/change/20260821T1302361922970000/354408 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v17 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v18 |
| ef:activity/change/20260821T1302361922970000/399624 | types | ef:agent/link_flows_to_their_substance | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v18 | ef:flow/a2e292ab-a9cc-45a8-9ec1-45876fe2ac2e/v19 |