2-phenylbutyric Acid
Everything that changed this flow. Back to the flow
0428ff86-82df-472c-a258-bc73d40b7964
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 1860' (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=2-phenylbutyricacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'90-27-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e4161b96809ef8ed: {'90-27-7': '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=['90-27-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_86545']; candidate_pubchem_cids=[6771, 7012, 5311306]; selected_pubchem_cids=[7012]; 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 |
|---|---|---|---|---|---|
| 3,762 | bootstrap_labels | prefLabel | — | [{"@value":"2-phenylbutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 3,763 | bootstrap_labels | name | 2-phenylbutyric acid | — | Purged legacy name field to enforce prefLabel usage |
| 3,764 | bootstrap_labels | synonyms | ["(+/-)-2-Phenylbutyric acid",".alpha.-Phenyl butyric acid",".alpha.-Phenylbutyric acid",".alpha.-Toluic acid, .alpha.-… | [] | Removed legacy synonyms field in favor of structured labels |
| 29,270 | 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 |
| 29,271 | 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 |
| 214,598 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,961 | normalize_name_case | prefLabel | [{"@value":"2-phenylbutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"2-phenylbutyric Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,809 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,810 | enrich_references | skos_definition | — | [{"@value":"A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2.","@language":"en","… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,811 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.101F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['90-27-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_86545']; candidate_pubchem_cids=[6771, 7012, 5311306]; selected_pubchem_cids=[7012]; 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 |
| 254,859 | chebi_altlabels | altLabel | [] | [{"@value":"2-phenylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,277 | consensus_match | altLabel | [{"@value":"2-phenylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"2-phenylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=2-phenylbutyricacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=90-27-7; added Common Chemistry CAS names as altLabel: (<em>RS</em>)-2-Phenylbutanoic acid, (±)-2-Phenylbutanoic acid, (±)-2-Phenylbutyric acid, (±)-α-Ethylphenylacetic acid, (±)-α-Phenylbutyric acid, Benzeneacetic acid, α-ethyl-, Butyric acid, 2-phenyl-, NSC 1860, α-Ethyl-α-toluic acid, α-Ethylbenzeneacetic acid, α-Ethylphenylacetic acid, α-Phenylbutyric acid; object_uuid=fo-e4161b96809ef8ed |
| 261,278 | consensus_match | cas_match_labels | — | {"90-27-7":"exactMatch"} | group_key=2-phenylbutyricacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'90-27-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e4161b96809ef8ed: {'90-27-7': 'exactMatch'} |
| 274,498 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-phenylbutyric Acid' |
| 280,939 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | rdkit_post_consensus from 'CCC(C(=O)O)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,029 | strip_catalogue_altlabels | altLabel | [{"@value":"2-phenylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"2-phenylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 1860' (registry code) |
| 295,674 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0428ff86-82df-… | associations resolved on the elementary layer |
| 388,796 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | typed the way the ontology types it |
| 395,678 | 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/20260821T1302361922970000/3762 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v0 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v1 |
| ef:activity/change/20260821T1302361922970000/3763 | name | ef:agent/bootstrap_labels | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v1 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v2 |
| ef:activity/change/20260821T1302361922970000/3764 | synonyms | ef:agent/bootstrap_labels | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v2 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v3 |
| ef:activity/change/20260821T1302361922970000/29270 | context | ef:agent/default_context_mapping | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v3 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v4 |
| ef:activity/change/20260821T1302361922970000/29271 | context_iri | ef:agent/default_context_mapping | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v4 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v5 |
| ef:activity/change/20260821T1302361922970000/214598 | unit_iri | ef:agent/unit_normalization | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v5 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v6 |
| ef:activity/change/20260821T1302361922970000/221961 | prefLabel | ef:agent/normalize_name_case | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v6 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v7 |
| ef:activity/change/20260821T1302361922970000/230809 | properties | ef:agent/enrich_references | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v7 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v8 |
| ef:activity/change/20260821T1302361922970000/230810 | skos_definition | ef:agent/enrich_references | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v8 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v9 |
| ef:activity/change/20260821T1302361922970000/230811 | references | ef:agent/enrich_references | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v9 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v10 |
| ef:activity/change/20260821T1302361922970000/254859 | altLabel | ef:agent/chebi_altlabels | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v10 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v11 |
| ef:activity/change/20260821T1302361922970000/261277 | altLabel | ef:agent/consensus_match | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v11 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v12 |
| ef:activity/change/20260821T1302361922970000/261278 | cas_match_labels | ef:agent/consensus_match | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v12 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v13 |
| ef:activity/change/20260821T1302361922970000/274498 | properties | ef:agent/opsin_iupac | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v13 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v14 |
| ef:activity/change/20260821T1302361922970000/280939 | properties | ef:agent/rdkit_post_consensus | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v14 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v15 |
| ef:activity/change/20260821T1302361922970000/288029 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v15 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v16 |
| ef:activity/change/20260821T1302361922970000/295674 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v16 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v17 |
| ef:activity/change/20260821T1302361922970000/388796 | properties | ef:agent/normalise_property_values | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v17 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v18 |
| ef:activity/change/20260821T1302361922970000/395678 | types | ef:agent/link_flows_to_their_substance | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v18 | ef:flow/0428ff86-82df-472c-a258-bc73d40b7964/v19 |