2-chloro-3-methyl-4-(methylsulfonyl) Benzoic Acid
Everything that changed this flow. Back to the flow
d150092a-7ba0-4677-8e17-0e972fd2d1b5
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-3-methyl-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Water > water_body=Unknown; cas=106904-09-0; added Common Chemistry CAS names as altLabel: 2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid, 2-Chloro-3-methyl-4-methanesulfonyl benzoic acid, 2-Chloro-3-methyl-4-methylsulfonylbenzoic acid, 2-Chloro-4-methanesulfonyl-3-methylbenzoic acid, Benzoic acid, 2-chloro-3-methyl-4-(methylsulfonyl)-; object_uuid=fo-f4a6aef12e8c0fd1 |
| cas_match_labels | 1 | consensus_match | group_key=2-chloro-3-methyl-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'106904-09-0': []}; assigned CAS labels from group consensus; object_uuid=fo-f4a6aef12e8c0fd1: {'106904-09-0': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['106904-09-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[14254476, 53811570]; selected_pubchem_cids=[14254476]; 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 |
|---|---|---|---|---|---|
| 9,394 | bootstrap_labels | prefLabel | — | [{"@value":"2-chloro-3-methyl-4-(methylsulfonyl) benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | Bootstrapped prefLabel from legacy name field |
| 9,395 | bootstrap_labels | name | 2-chloro-3-methyl-4-(methylsulfonyl) benzoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 9,396 | bootstrap_labels | synonyms | ["organic","benzoicacid,2-chloro-3-methyl-4-(methylsulfonyl)-"] | [] | Removed legacy synonyms field in favor of structured labels |
| 173,830 | 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 |
| 173,831 | 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 |
| 216,463 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,302 | normalize_name_case | prefLabel | [{"@value":"2-chloro-3-methyl-4-(methylsulfonyl) benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | [{"@value":"2-chloro-3-methyl-4-(methylsulfonyl) Benzoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootst… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,165 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO4S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,166 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,167 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.109.138","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['106904-09-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[14254476, 53811570]; selected_pubchem_cids=[14254476]; 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 |
| 250,900 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO4S"… | rdkit_pre_consensus from 'CC1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C'; added: molecular_mass, monoisotopic_mass |
| 260,642 | consensus_match | altLabel | [] | [{"@value":"2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consens… | group_key=2-chloro-3-methyl-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Water > water_body=Unknown; cas=106904-09-0; added Common Chemistry CAS names as altLabel: 2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid, 2-Chloro-3-methyl-4-methanesulfonyl benzoic acid, 2-Chloro-3-methyl-4-methylsulfonylbenzoic acid, 2-Chloro-4-methanesulfonyl-3-methylbenzoic acid, Benzoic acid, 2-chloro-3-methyl-4-(methylsulfonyl)-; object_uuid=fo-f4a6aef12e8c0fd1 |
| 260,643 | consensus_match | cas_match_labels | — | {"106904-09-0":"exactMatch"} | group_key=2-chloro-3-methyl-4-(methylsulfonyl)benzoicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'106904-09-0': []}; assigned CAS labels from group consensus; object_uuid=fo-f4a6aef12e8c0fd1: {'106904-09-0': 'exactMatch'} |
| 276,088 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO4S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-chloro-3-methyl-4-(methylsulfonyl) Benzoic Acid' |
| 282,660 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO4S"… | rdkit_post_consensus from 'Cc1c(S(C)(=O)=O)ccc(C(=O)O)c1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 367,939 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d150092a-7ba0-… | associations resolved on the elementary layer |
| 390,432 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO4S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9ClO4S"… | typed the way the ontology types it |
| 398,038 | 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/20260821T1302361922970000/9394 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v0 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v1 |
| ef:activity/change/20260821T1302361922970000/9395 | name | ef:agent/bootstrap_labels | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v1 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v2 |
| ef:activity/change/20260821T1302361922970000/9396 | synonyms | ef:agent/bootstrap_labels | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v2 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v3 |
| ef:activity/change/20260821T1302361922970000/173830 | context | ef:agent/default_context_mapping | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v3 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v4 |
| ef:activity/change/20260821T1302361922970000/173831 | context_iri | ef:agent/default_context_mapping | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v4 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v5 |
| ef:activity/change/20260821T1302361922970000/216463 | unit_iri | ef:agent/unit_normalization | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v5 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v6 |
| ef:activity/change/20260821T1302361922970000/223302 | prefLabel | ef:agent/normalize_name_case | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v6 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v7 |
| ef:activity/change/20260821T1302361922970000/236165 | properties | ef:agent/enrich_references | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v7 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v8 |
| ef:activity/change/20260821T1302361922970000/236166 | skos_definition | ef:agent/enrich_references | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v8 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v9 |
| ef:activity/change/20260821T1302361922970000/236167 | references | ef:agent/enrich_references | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v9 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v10 |
| ef:activity/change/20260821T1302361922970000/250900 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v10 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v11 |
| ef:activity/change/20260821T1302361922970000/260642 | altLabel | ef:agent/consensus_match | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v11 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v12 |
| ef:activity/change/20260821T1302361922970000/260643 | cas_match_labels | ef:agent/consensus_match | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v12 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v13 |
| ef:activity/change/20260821T1302361922970000/276088 | properties | ef:agent/opsin_iupac | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v13 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v14 |
| ef:activity/change/20260821T1302361922970000/282660 | properties | ef:agent/rdkit_post_consensus | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v14 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v15 |
| ef:activity/change/20260821T1302361922970000/367939 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v15 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v16 |
| ef:activity/change/20260821T1302361922970000/390432 | properties | ef:agent/normalise_property_values | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v16 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v17 |
| ef:activity/change/20260821T1302361922970000/398038 | types | ef:agent/link_flows_to_their_substance | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v17 | ef:flow/d150092a-7ba0-4677-8e17-0e972fd2d1b5/v18 |