Sodium 4-(4-chloro-o-tolyloxy)butyrate
Everything that changed this flow. Back to the flow
a5633bd5-ba76-4e0b-ab89-a1328ff19ef1
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-(4-chloro-o-tolyloxy)butyrate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6062-26-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f62fdc7f55276211: {'6062-26-6': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['6062-26-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[23675729, 166604492]; selected_pubchem_cids=[166604492]; 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 |
|---|---|---|---|---|---|
| 5,319 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 4-(4-chloro-o-tolyloxy)butyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Bootstrapped prefLabel from legacy name field |
| 5,320 | bootstrap_labels | name | sodium 4-(4-chloro-o-tolyloxy)butyrate | — | Purged legacy name field to enforce prefLabel usage |
| 5,321 | bootstrap_labels | synonyms | ["sodium4-(4-chloro-o-tolyloxy)butyrate","sodium(4-chloro-2-methylphenoxy)butyrate","sodium4-(4-chloro-2-methylphenoxy)… | [] | Removed legacy synonyms field in favor of structured labels |
| 148,232 | 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 |
| 148,233 | 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 |
| 215,115 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,322 | normalize_name_case | prefLabel | [{"@value":"sodium 4-(4-chloro-o-tolyloxy)butyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | [{"@value":"Sodium 4-(4-chloro-o-tolyloxy)butyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,293 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13ClNa… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,294 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,295 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.025.445","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['6062-26-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[23675729, 166604492]; selected_pubchem_cids=[166604492]; 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 |
| 249,785 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13ClNa… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13ClNa… | rdkit_pre_consensus from 'CC1=C(C=CC(=C1)Cl)OCCCC(=O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,783 | consensus_match | altLabel | [] | [{"@value":"2,4-MCPB sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | group_key=sodium4-(4-chloro-o-tolyloxy)butyrate||dimension=Environmental > media=Air > indoor=Unknown; cas=6062-26-6; added Common Chemistry CAS names as altLabel: 2,4-MCPB sodium salt, Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, sodium salt, Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, sodium salt (1:1), Butyric acid, 4-[(4-chloro-<em>o</em>-tolyl)oxy]-, sodium salt, Can-Trol, MCPB sodium salt, MCPB-sodium, SYS 67MB, Sodium 4-(2-methyl-4-chlorophenoxy)butyrate, Sodium 4-chloro-2-methylphenoxybutyrate, Sodium MCPB, Sodium γ-(2-methyl-4-chlorophenoxy)butyrate, Tropotox, [(4-Chloro-<em>o</em>-tolyl)oxy]butyric acid sodium salt; object_uuid=fo-f62fdc7f55276211 |
| 271,784 | consensus_match | cas_match_labels | — | {"6062-26-6":"exactMatch"} | group_key=sodium4-(4-chloro-o-tolyloxy)butyrate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6062-26-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f62fdc7f55276211: {'6062-26-6': 'exactMatch'} |
| 274,925 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13ClNa… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13ClNa… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 4-(4-chloro-o-tolyloxy)butyrate' |
| 281,402 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13ClNa… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H12ClNa… | rdkit_post_consensus from 'Cc1cc(Cl)ccc1OCCCC(=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,829 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H12ClNa… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H12ClNa… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,255 | dedupe_altlabels | altLabel | [{"@value":"2,4-MCPB sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | [{"@value":"2,4-MCPB sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | Deduplicated altLabel values and removed entries matching prefLabel |
| 355,138 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a5633bd5-ba76-… | associations resolved on the elementary layer |
| 396,290 | 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/20260821T1554374006150000/5319 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v0 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v1 |
| ef:activity/change/20260821T1554374006150000/5320 | name | ef:agent/bootstrap_labels | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v1 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v2 |
| ef:activity/change/20260821T1554374006150000/5321 | synonyms | ef:agent/bootstrap_labels | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v2 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v3 |
| ef:activity/change/20260821T1554374006150000/148232 | context | ef:agent/default_context_mapping | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v3 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v4 |
| ef:activity/change/20260821T1554374006150000/148233 | context_iri | ef:agent/default_context_mapping | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v4 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v5 |
| ef:activity/change/20260821T1554374006150000/215115 | unit_iri | ef:agent/unit_normalization | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v5 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v6 |
| ef:activity/change/20260821T1554374006150000/222322 | prefLabel | ef:agent/normalize_name_case | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v6 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v7 |
| ef:activity/change/20260821T1554374006150000/232293 | properties | ef:agent/enrich_references | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v7 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v8 |
| ef:activity/change/20260821T1554374006150000/232294 | skos_definition | ef:agent/enrich_references | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v8 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v9 |
| ef:activity/change/20260821T1554374006150000/232295 | references | ef:agent/enrich_references | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v9 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v10 |
| ef:activity/change/20260821T1554374006150000/249785 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v10 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v11 |
| ef:activity/change/20260821T1554374006150000/271783 | altLabel | ef:agent/consensus_match | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v11 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v12 |
| ef:activity/change/20260821T1554374006150000/271784 | cas_match_labels | ef:agent/consensus_match | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v12 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v13 |
| ef:activity/change/20260821T1554374006150000/274925 | properties | ef:agent/opsin_iupac | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v13 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v14 |
| ef:activity/change/20260821T1554374006150000/281402 | properties | ef:agent/rdkit_post_consensus | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v14 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v15 |
| ef:activity/change/20260821T1554374006150000/286829 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v15 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v16 |
| ef:activity/change/20260821T1554374006150000/292255 | altLabel | ef:agent/dedupe_altlabels | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v16 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v17 |
| ef:activity/change/20260821T1554374006150000/355138 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v17 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v18 |
| ef:activity/change/20260821T1554374006150000/396290 | types | ef:agent/link_flows_to_their_substance | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v18 | ef:flow/a5633bd5-ba76-4e0b-ab89-a1328ff19ef1/v19 |