Methyl, 3-trifluoromethylbenzoate
Everything that changed this flow. Back to the flow
a5215a4d-f3a5-46c5-b1af-3e92da55d2af
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 |
| 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=methyl,3-trifluoromethylbenzoate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2557-13-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e447f66314f3d53: {'2557-13-3': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2557-13-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[520213, 54579832]; selected_pubchem_cids=[520213]; 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 |
|---|---|---|---|---|---|
| 17,116 | bootstrap_labels | prefLabel | — | [{"@value":"methyl, 3-trifluoromethylbenzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 17,117 | bootstrap_labels | name | methyl, 3-trifluoromethylbenzoate | — | Purged legacy name field to enforce prefLabel usage |
| 17,118 | bootstrap_labels | synonyms | ["organic","benzoicacid,3-(trifluoromethyl)-,methylester"] | [] | Removed legacy synonyms field in favor of structured labels |
| 148,096 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 148,097 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 218,950 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,008 | normalize_name_case | prefLabel | [{"@value":"methyl, 3-trifluoromethylbenzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"Methyl, 3-trifluoromethylbenzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,241 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7F3O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 243,242 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,243 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J461.265E","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['2557-13-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[520213, 54579832]; selected_pubchem_cids=[520213]; 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 |
| 252,942 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7F3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7F3O2"]… | rdkit_pre_consensus from 'COC(=O)C1=CC(=CC=C1)C(F)(F)F'; added: molecular_mass, monoisotopic_mass |
| 268,932 | consensus_match | altLabel | [] | [{"@value":"3-Trifluoromethylbenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | group_key=methyl,3-trifluoromethylbenzoate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2557-13-3; added Common Chemistry CAS names as altLabel: 3-Trifluoromethylbenzoic acid methyl ester, <em>m</em>-Toluic acid, α,α,α-trifluoro-, methyl ester, Benzoic acid, 3-(trifluoromethyl)-, methyl ester, Methyl 3-trifluoromethylbenzoate, Methyl <em>m</em>-trifluoromethylbenzoate; object_uuid=fo-9e447f66314f3d53 |
| 268,933 | consensus_match | cas_match_labels | — | {"2557-13-3":"exactMatch"} | group_key=methyl,3-trifluoromethylbenzoate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['pubchem']; cas_sources={'2557-13-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9e447f66314f3d53: {'2557-13-3': 'exactMatch'} |
| 278,145 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7F3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7F3O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl, 3-trifluoromethylbenzoate' |
| 284,885 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7F3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7F3O2"]… | rdkit_post_consensus from 'COC(=O)c1cccc(C(F)(F)F)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,912 | dedupe_altlabels | altLabel | [{"@value":"3-Trifluoromethylbenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | [{"@value":"3-Trifluoromethylbenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | Deduplicated altLabel values and removed entries matching prefLabel |
| 355,070 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a5215a4d-f3a5-… | associations resolved on the elementary layer |
| 392,502 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7F3O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7F3O2"]… | typed the way the ontology types it |
| 401,006 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/17116 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v0 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v1 |
| ef:activity/change/20260822T0600486828500000/17117 | name | ef:agent/bootstrap_labels | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v1 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v2 |
| ef:activity/change/20260822T0600486828500000/17118 | synonyms | ef:agent/bootstrap_labels | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v2 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v3 |
| ef:activity/change/20260822T0600486828500000/148096 | context | ef:agent/default_context_mapping | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v3 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v4 |
| ef:activity/change/20260822T0600486828500000/148097 | context_iri | ef:agent/default_context_mapping | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v4 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v5 |
| ef:activity/change/20260822T0600486828500000/218950 | unit_iri | ef:agent/unit_normalization | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v5 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v6 |
| ef:activity/change/20260822T0600486828500000/225008 | prefLabel | ef:agent/normalize_name_case | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v6 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v7 |
| ef:activity/change/20260822T0600486828500000/243241 | properties | ef:agent/enrich_references | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v7 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v8 |
| ef:activity/change/20260822T0600486828500000/243242 | skos_definition | ef:agent/enrich_references | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v8 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v9 |
| ef:activity/change/20260822T0600486828500000/243243 | references | ef:agent/enrich_references | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v9 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v10 |
| ef:activity/change/20260822T0600486828500000/252942 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v10 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v11 |
| ef:activity/change/20260822T0600486828500000/268932 | altLabel | ef:agent/consensus_match | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v11 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v12 |
| ef:activity/change/20260822T0600486828500000/268933 | cas_match_labels | ef:agent/consensus_match | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v12 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v13 |
| ef:activity/change/20260822T0600486828500000/278145 | properties | ef:agent/opsin_iupac | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v13 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v14 |
| ef:activity/change/20260822T0600486828500000/284885 | properties | ef:agent/rdkit_post_consensus | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v14 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v15 |
| ef:activity/change/20260822T0600486828500000/292912 | altLabel | ef:agent/dedupe_altlabels | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v15 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v16 |
| ef:activity/change/20260822T0600486828500000/355070 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v16 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v17 |
| ef:activity/change/20260822T0600486828500000/392502 | properties | ef:agent/normalise_property_values | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v17 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v18 |
| ef:activity/change/20260822T0600486828500000/401006 | types | ef:agent/link_flows_to_their_substance | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v18 | ef:flow/a5215a4d-f3a5-46c5-b1af-3e92da55d2af/v19 |