3-phenylbutyric Acid
Everything that changed this flow. Back to the flow
e2923be8-1fab-46ec-9203-e5e7a4512ae6
By field
14 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 2 catalogue altLabel value(s): 'NSC 177801' (registry code), 'NSC 67346' (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=3-phenylbutyricacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4593-90-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-704aba68ad913dd8: {'4593-90-2': '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 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 |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 224-987-4 from CAS 4593-90-2 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['4593-90-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_166657']; candidate_pubchem_cids=[20724, 852992]; selected_pubchem_cids=[20724]; 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 |
|---|---|---|---|---|---|
| 2,315 | bootstrap_labels | prefLabel | — | [{"@value":"3-phenylbutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 2,316 | bootstrap_labels | name | 3-phenylbutyric acid | — | Purged legacy name field to enforce prefLabel usage |
| 2,317 | bootstrap_labels | synonyms | ["(+/-)-3-Phenylbutyric acid",".beta.-Phenyl-n-butyric acid","3-Phenylbutanoic acid","3-phenyl-Mutyric Acid","AC1L2GV6"… | [] | Removed legacy synonyms field in favor of structured labels |
| 184,668 | 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 |
| 184,669 | 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 |
| 214,111 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,623 | normalize_name_case | prefLabel | [{"@value":"3-phenylbutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"3-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) |
| 226,725 | ec_cross_check | ec_numbers | [] | ["224-987-4"] | Resolved from EC-inventory: 224-987-4 from CAS 4593-90-2 |
| 229,404 | 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) |
| 229,405 | enrich_references | skos_definition | — | [{"@value":"A monocarboxylic acid that is butanoic acid substituted by a phenyl group at position 3.","@language":"en",… | Merged ChEBI/PubChem definitions into skos:definition |
| 229,406 | enrich_references | references | [] | [{"@id":"foodb.food:FDB022762","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedT… | Added references with provenance; cas_numbers=['4593-90-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_166657']; candidate_pubchem_cids=[20724, 852992]; selected_pubchem_cids=[20724]; 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 |
| 254,636 | chebi_altlabels | altLabel | [] | [{"@value":"3-phenylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,194 | consensus_match | altLabel | [{"@value":"3-phenylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"3-phenylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=3-phenylbutyricacid||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=4593-90-2; added Common Chemistry CAS names as altLabel: (<em>RS</em>)-3-Phenylbutanoic acid, (±)-3-Phenylbutyric acid, (±)-β-Phenylbutyric acid, Benzenepropanoic acid, β-methyl-, Hydrocinnamic acid, β-methyl-, NSC 177801, NSC 67346, β-Methylbenzenepropanoic acid, β-Methylhydrocinnamic acid, β-Phenylbutyric acid; object_uuid=fo-704aba68ad913dd8 |
| 262,195 | consensus_match | cas_match_labels | — | {"4593-90-2":"exactMatch"} | group_key=3-phenylbutyricacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4593-90-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-704aba68ad913dd8: {'4593-90-2': 'exactMatch'} |
| 274,079 | 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 '3-phenylbutyric Acid' |
| 280,490 | 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 'CC(CC(=O)O)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,710 | strip_catalogue_altlabels | altLabel | [{"@value":"3-phenylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"3-phenylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 2 catalogue altLabel value(s): 'NSC 177801' (registry code), 'NSC 67346' (registry code) |
| 373,361 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e2923be8-1fab-… | associations resolved on the elementary layer |
| 388,368 | 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 |
| 395,079 | 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/20260821T1554374006150000/2315 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v0 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v1 |
| ef:activity/change/20260821T1554374006150000/2316 | name | ef:agent/bootstrap_labels | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v1 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v2 |
| ef:activity/change/20260821T1554374006150000/2317 | synonyms | ef:agent/bootstrap_labels | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v2 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v3 |
| ef:activity/change/20260821T1554374006150000/184668 | context | ef:agent/default_context_mapping | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v3 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v4 |
| ef:activity/change/20260821T1554374006150000/184669 | context_iri | ef:agent/default_context_mapping | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v4 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v5 |
| ef:activity/change/20260821T1554374006150000/214111 | unit_iri | ef:agent/unit_normalization | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v5 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v6 |
| ef:activity/change/20260821T1554374006150000/221623 | prefLabel | ef:agent/normalize_name_case | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v6 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v7 |
| ef:activity/change/20260821T1554374006150000/226725 | ec_numbers | ef:agent/ec_cross_check | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v7 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v8 |
| ef:activity/change/20260821T1554374006150000/229404 | properties | ef:agent/enrich_references | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v8 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v9 |
| ef:activity/change/20260821T1554374006150000/229405 | skos_definition | ef:agent/enrich_references | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v9 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v10 |
| ef:activity/change/20260821T1554374006150000/229406 | references | ef:agent/enrich_references | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v10 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v11 |
| ef:activity/change/20260821T1554374006150000/254636 | altLabel | ef:agent/chebi_altlabels | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v11 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v12 |
| ef:activity/change/20260821T1554374006150000/262194 | altLabel | ef:agent/consensus_match | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v12 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v13 |
| ef:activity/change/20260821T1554374006150000/262195 | cas_match_labels | ef:agent/consensus_match | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v13 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v14 |
| ef:activity/change/20260821T1554374006150000/274079 | properties | ef:agent/opsin_iupac | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v14 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v15 |
| ef:activity/change/20260821T1554374006150000/280490 | properties | ef:agent/rdkit_post_consensus | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v15 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v16 |
| ef:activity/change/20260821T1554374006150000/287710 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v16 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v17 |
| ef:activity/change/20260821T1554374006150000/373361 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v17 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v18 |
| ef:activity/change/20260821T1554374006150000/388368 | properties | ef:agent/normalise_property_values | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v18 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v19 |
| ef:activity/change/20260821T1554374006150000/395079 | types | ef:agent/link_flows_to_their_substance | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v19 | ef:flow/e2923be8-1fab-46ec-9203-e5e7a4512ae6/v20 |