2-chloro-4-(methylsulfonyl)benzoic Acid
Everything that changed this flow. Back to the flow
e55c3a55-4224-4853-90f3-a58b8ca966f4
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types 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=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2 |
| cas_match_labels | 1 | consensus_match | group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': '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=['53250-83-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[735863, 92045718]; selected_pubchem_cids=[735863]; 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 |
|---|---|---|---|---|---|
| 2,552 | bootstrap_labels | prefLabel | — | [{"@value":"2-chloro-4-(methylsulfonyl)benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Bootstrapped prefLabel from legacy name field |
| 2,553 | bootstrap_labels | name | 2-chloro-4-(methylsulfonyl)benzoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 2,554 | bootstrap_labels | synonyms | ["organic","2-chloro-4-(methylsulfonyl)benzoicacid"] | [] | Removed legacy synonyms field in favor of structured labels |
| 187,116 | 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) |
| 187,117 | 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) |
| 214,190 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,676 | normalize_name_case | prefLabel | [{"@value":"2-chloro-4-(methylsulfonyl)benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | [{"@value":"2-chloro-4-(methylsulfonyl)benzoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,633 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7ClO4S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,634 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,635 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J416.778C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['53250-83-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[735863, 92045718]; selected_pubchem_cids=[735863]; 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 |
| 249,024 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7ClO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7ClO4S"… | rdkit_pre_consensus from 'CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl'; added: molecular_mass, monoisotopic_mass |
| 260,646 | consensus_match | altLabel | [] | [{"@value":"Benzoic acid, 2-chloro-4-(methylsulfonyl)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=53250-83-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-chloro-4-(methylsulfonyl)-; object_uuid=fo-23b75f96da415ee2 |
| 260,647 | consensus_match | cas_match_labels | — | {"53250-83-2":"exactMatch"} | group_key=2-chloro-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'53250-83-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-23b75f96da415ee2: {'53250-83-2': 'exactMatch'} |
| 274,142 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7ClO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7ClO4S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-chloro-4-(methylsulfonyl)benzoic Acid' |
| 280,561 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7ClO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7ClO4S"… | rdkit_post_consensus from 'CS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 374,584 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e55c3a55-4224-… | associations resolved on the elementary layer |
| 388,434 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7ClO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7ClO4S"… | typed the way the ontology types it |
| 395,168 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1122181958110000/2552 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v0 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v1 |
| ef:activity/change/20260821T1122181958110000/2553 | name | ef:agent/bootstrap_labels | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v1 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v2 |
| ef:activity/change/20260821T1122181958110000/2554 | synonyms | ef:agent/bootstrap_labels | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v2 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v3 |
| ef:activity/change/20260821T1122181958110000/187116 | context | ef:agent/default_context_mapping | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v3 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v4 |
| ef:activity/change/20260821T1122181958110000/187117 | context_iri | ef:agent/default_context_mapping | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v4 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v5 |
| ef:activity/change/20260821T1122181958110000/214190 | unit_iri | ef:agent/unit_normalization | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v5 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v6 |
| ef:activity/change/20260821T1122181958110000/221676 | prefLabel | ef:agent/normalize_name_case | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v6 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v7 |
| ef:activity/change/20260821T1122181958110000/229633 | properties | ef:agent/enrich_references | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v7 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v8 |
| ef:activity/change/20260821T1122181958110000/229634 | skos_definition | ef:agent/enrich_references | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v8 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v9 |
| ef:activity/change/20260821T1122181958110000/229635 | references | ef:agent/enrich_references | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v9 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v10 |
| ef:activity/change/20260821T1122181958110000/249024 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v10 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v11 |
| ef:activity/change/20260821T1122181958110000/260646 | altLabel | ef:agent/consensus_match | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v11 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v12 |
| ef:activity/change/20260821T1122181958110000/260647 | cas_match_labels | ef:agent/consensus_match | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v12 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v13 |
| ef:activity/change/20260821T1122181958110000/274142 | properties | ef:agent/opsin_iupac | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v13 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v14 |
| ef:activity/change/20260821T1122181958110000/280561 | properties | ef:agent/rdkit_post_consensus | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v14 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v15 |
| ef:activity/change/20260821T1122181958110000/374584 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v15 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v16 |
| ef:activity/change/20260821T1122181958110000/388434 | properties | ef:agent/normalise_property_values | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v16 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v17 |
| ef:activity/change/20260821T1122181958110000/395168 | types | ef:agent/link_flows_to_their_substance | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v17 | ef:flow/e55c3a55-4224-4853-90f3-a58b8ca966f4/v18 |