Phenylacetic Acid
Everything that changed this flow. Back to the flow
83347e3e-2b74-4dda-b42a-7cfab7d240dc
By field
14 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): 'NSC 125718' (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=phenylaceticacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'103-82-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-20125eba50b3367d: {'103-82-2': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['103-82-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30745']; candidate_pubchem_cids=[999, 21363, 643327, 4409936, 23690424]; selected_pubchem_cids=[999]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,931 | bootstrap_labels | prefLabel | — | [{"@value":"phenylacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 3,932 | bootstrap_labels | name | phenylacetic acid | — | Purged legacy name field to enforce prefLabel usage |
| 5,993 | bootstrap_labels | synonyms | [".alpha.-Toluic acid",".omega.-Phenylacetic acid","2-Phenylacetic acid","AB1003238","AC1L1AI8","AC1Q74Z6","AKOS0002913… | [] | Removed legacy synonyms field in favor of structured labels |
| 127,768 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 127,769 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 214,660 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,000 | normalize_name_case | prefLabel | [{"@value":"phenylacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Phenylacetic 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) |
| 230,977 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,978 | enrich_references | skos_definition | — | [{"@value":"A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced b… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,979 | enrich_references | references | [] | [{"@id":"drugcentral:4624","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['103-82-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_30745']; candidate_pubchem_cids=[999, 21363, 643327, 4409936, 23690424]; selected_pubchem_cids=[999]; 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 |
| 249,418 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | rdkit_pre_consensus from 'C1=CC=C(C=C1)CC(=O)O'; added: monoisotopic_mass |
| 254,888 | chebi_altlabels | altLabel | [] | [{"@value":"2-PHENYLACETIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,655 | consensus_match | altLabel | [{"@value":"2-PHENYLACETIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"2-PHENYLACETIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | group_key=phenylaceticacid||dimension=Environmental > media=Air > indoor=Unknown; cas=103-82-2; added Common Chemistry CAS names as altLabel: Acetic acid, phenyl-, NSC 125718, PAA, Phenylethanoic acid, α-Toluic acid, ω-Phenylacetic acid; object_uuid=fo-20125eba50b3367d |
| 270,656 | consensus_match | cas_match_labels | — | {"103-82-2":"exactMatch"} | group_key=phenylaceticacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'103-82-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-20125eba50b3367d: {'103-82-2': 'exactMatch'} |
| 274,567 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phenylacetic Acid' |
| 281,008 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | rdkit_post_consensus from 'O=C(O)Cc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,079 | strip_catalogue_altlabels | altLabel | [{"@value":"2-PHENYLACETIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"2-PHENYLACETIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Removed 1 catalogue altLabel value(s): 'NSC 125718' (registry code) |
| 344,906 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/83347e3e-2b74-… | associations resolved on the elementary layer |
| 388,866 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H8O2"],"… | typed the way the ontology types it |
| 395,771 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 395,772 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_26155","rdfs:label":"plant growth regulator","http://www.w3.org/2004/02/s… | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260820T0738569779880000/3931 | prefLabel | ef:agent/bootstrap_labels | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v0 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v1 |
| ef:activity/change/20260820T0738569779880000/3932 | name | ef:agent/bootstrap_labels | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v1 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v2 |
| ef:activity/change/20260820T0738569779880000/5993 | synonyms | ef:agent/bootstrap_labels | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v2 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v3 |
| ef:activity/change/20260820T0738569779880000/127768 | context | ef:agent/default_context_mapping | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v3 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v4 |
| ef:activity/change/20260820T0738569779880000/127769 | context_iri | ef:agent/default_context_mapping | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v4 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v5 |
| ef:activity/change/20260820T0738569779880000/214660 | unit_iri | ef:agent/unit_normalization | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v5 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v6 |
| ef:activity/change/20260820T0738569779880000/222000 | prefLabel | ef:agent/normalize_name_case | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v6 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v7 |
| ef:activity/change/20260820T0738569779880000/230977 | properties | ef:agent/enrich_references | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v7 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v8 |
| ef:activity/change/20260820T0738569779880000/230978 | skos_definition | ef:agent/enrich_references | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v8 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v9 |
| ef:activity/change/20260820T0738569779880000/230979 | references | ef:agent/enrich_references | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v9 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v10 |
| ef:activity/change/20260820T0738569779880000/249418 | properties | ef:agent/rdkit_pre_consensus | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v10 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v11 |
| ef:activity/change/20260820T0738569779880000/254888 | altLabel | ef:agent/chebi_altlabels | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v11 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v12 |
| ef:activity/change/20260820T0738569779880000/270655 | altLabel | ef:agent/consensus_match | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v12 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v13 |
| ef:activity/change/20260820T0738569779880000/270656 | cas_match_labels | ef:agent/consensus_match | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v13 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v14 |
| ef:activity/change/20260820T0738569779880000/274567 | properties | ef:agent/opsin_iupac | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v14 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v15 |
| ef:activity/change/20260820T0738569779880000/281008 | properties | ef:agent/rdkit_post_consensus | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v15 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v16 |
| ef:activity/change/20260820T0738569779880000/288079 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v16 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v17 |
| ef:activity/change/20260820T0738569779880000/344906 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v17 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v18 |
| ef:activity/change/20260820T0738569779880000/388866 | properties | ef:agent/normalise_property_values | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v18 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v19 |
| ef:activity/change/20260820T0738569779880000/395771 | types | ef:agent/link_flows_to_their_substance | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v19 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v20 |
| ef:activity/change/20260820T0738569779880000/395772 | roles | ef:agent/link_flows_to_their_substance | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v20 | ef:flow/83347e3e-2b74-4dda-b42a-7cfab7d240dc/v21 |