Fluoroacetic Acid
Everything that changed this flow. Back to the flow
8e4b38ff-da00-4ac6-9889-c3421d895a67
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'UN 2642' (registry code) |
| 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=fluoroaceticacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'144-49-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7df55adfeb23e8eb: {'144-49-0': '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 air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['144-49-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30775']; candidate_pubchem_cids=[5237]; selected_pubchem_cids=[5237]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,128 | bootstrap_labels | prefLabel | — | [{"@value":"fluoroacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 3,129 | bootstrap_labels | name | fluoroacetic acid | — | Purged legacy name field to enforce prefLabel usage |
| 15,744 | bootstrap_labels | synonyms | ["Acetic acid, 2-fluoro-, sodium salt (1:1)","Acetic acid, fluoro-, sodium salt","Compound 1080","Fluorakil 3","Fluoroa… | [] | Removed legacy synonyms field in favor of structured labels |
| 134,444 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 134,445 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 214,383 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,805 | normalize_name_case | prefLabel | [{"@value":"fluoroacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Fluoroacetic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,186 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3FO2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,187 | enrich_references | skos_definition | — | [{"@value":"A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine.","@l… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,188 | enrich_references | references | [] | [{"@id":"gmelin:25730","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['144-49-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30775']; candidate_pubchem_cids=[5237]; selected_pubchem_cids=[5237]; 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 |
| 249,187 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3FO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3FO2"],… | rdkit_pre_consensus from 'C(C(=O)O)F'; added: monoisotopic_mass |
| 254,739 | chebi_altlabels | altLabel | [] | [{"@value":"Cymonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 267,216 | consensus_match | altLabel | [{"@value":"Cymonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | [{"@value":"Cymonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | group_key=fluoroaceticacid||dimension=Environmental > media=Air > indoor=Unknown; cas=144-49-0; added Common Chemistry CAS names as altLabel: 2-Fluoroacetic acid, Acetic acid, 2-fluoro-, Acetic acid, fluoro-, Fluoroethanoic acid, MeSH ID: D005463, α-Fluoroacetic acid; object_uuid=fo-7df55adfeb23e8eb |
| 267,217 | consensus_match | cas_match_labels | — | {"144-49-0":"exactMatch"} | group_key=fluoroaceticacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'144-49-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7df55adfeb23e8eb: {'144-49-0': 'exactMatch'} |
| 274,301 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3FO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3FO2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Fluoroacetic Acid' |
| 280,733 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3FO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3FO2"],… | rdkit_post_consensus from 'O=C(O)CF'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,872 | strip_catalogue_altlabels | altLabel | [{"@value":"Cymonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | [{"@value":"Cymonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | Removed 1 catalogue altLabel value(s): 'UN 2642' (registry code) |
| 348,218 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8e4b38ff-da00-… | associations resolved on the elementary layer |
| 388,599 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3FO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3FO2"],… | typed the way the ontology types it |
| 395,405 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/3128 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v0 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v1 |
| ef:activity/change/20260822T0600486828500000/3129 | name | ef:agent/bootstrap_labels | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v1 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v2 |
| ef:activity/change/20260822T0600486828500000/15744 | synonyms | ef:agent/bootstrap_labels | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v2 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v3 |
| ef:activity/change/20260822T0600486828500000/134444 | context | ef:agent/default_context_mapping | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v3 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v4 |
| ef:activity/change/20260822T0600486828500000/134445 | context_iri | ef:agent/default_context_mapping | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v4 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v5 |
| ef:activity/change/20260822T0600486828500000/214383 | unit_iri | ef:agent/unit_normalization | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v5 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v6 |
| ef:activity/change/20260822T0600486828500000/221805 | prefLabel | ef:agent/normalize_name_case | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v6 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v7 |
| ef:activity/change/20260822T0600486828500000/230186 | properties | ef:agent/enrich_references | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v7 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v8 |
| ef:activity/change/20260822T0600486828500000/230187 | skos_definition | ef:agent/enrich_references | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v8 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v9 |
| ef:activity/change/20260822T0600486828500000/230188 | references | ef:agent/enrich_references | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v9 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v10 |
| ef:activity/change/20260822T0600486828500000/249187 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v10 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v11 |
| ef:activity/change/20260822T0600486828500000/254739 | altLabel | ef:agent/chebi_altlabels | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v11 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v12 |
| ef:activity/change/20260822T0600486828500000/267216 | altLabel | ef:agent/consensus_match | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v12 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v13 |
| ef:activity/change/20260822T0600486828500000/267217 | cas_match_labels | ef:agent/consensus_match | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v13 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v14 |
| ef:activity/change/20260822T0600486828500000/274301 | properties | ef:agent/opsin_iupac | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v14 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v15 |
| ef:activity/change/20260822T0600486828500000/280733 | properties | ef:agent/rdkit_post_consensus | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v15 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v16 |
| ef:activity/change/20260822T0600486828500000/287872 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v16 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v17 |
| ef:activity/change/20260822T0600486828500000/348218 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v17 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v18 |
| ef:activity/change/20260822T0600486828500000/388599 | properties | ef:agent/normalise_property_values | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v18 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v19 |
| ef:activity/change/20260822T0600486828500000/395405 | types | ef:agent/link_flows_to_their_substance | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v19 | ef:flow/8e4b38ff-da00-4ac6-9889-c3421d895a67/v20 |