1-phenylbutane-1,3-dione
Everything that changed this flow. Back to the flow
a1165e48-47cf-4e1b-a225-4dcac345a5c5
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, strip_catalogue_altlabels | Removed 12 catalogue altLabel value(s): 'NSC 100655' (registry code), 'NSC 4015' (registry code), 'NSC 404283' (registry code), 'NSC 405722' (registry code), 'NSC 405723' (registry code), 'NSC 405724' (registry code), 'NSC 83580' (registry code), 'NSC 83581' (registry code), 'NSC 87898' (registry code), 'NSC 88942' (registry code), 'NSC 97232' (registry code), 'NSC 97233' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1-phenylbutane-1,3-dione||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'93-91-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b659b9d421420f24: {'93-91-4': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['93-91-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[7166, 84215, 226357, 5326162]; selected_pubchem_cids=[7166]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,633 | bootstrap_labels | prefLabel | — | [{"@value":"1-phenylbutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 2,634 | bootstrap_labels | name | 1-phenylbutane-1,3-dione | — | Purged legacy name field to enforce prefLabel usage |
| 2,635 | bootstrap_labels | synonyms | [".alpha.-Acetylacetophenone","1,3-Butanedione, 1-phenyl-","1-Benzoyl-2-propanone","1-Benzoylacetone","1-PHENYL-1,3-BUT… | [] | Removed legacy synonyms field in favor of structured labels |
| 145,590 | 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 |
| 145,591 | 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 |
| 214,217 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 229,711 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,712 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,713 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.688D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['93-91-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[7166, 84215, 226357, 5326162]; selected_pubchem_cids=[7166]; 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 |
| 249,048 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10O2"]… | rdkit_pre_consensus from 'CC(=O)CC(=O)C1=CC=CC=C1'; added: molecular_mass, monoisotopic_mass |
| 259,295 | consensus_match | altLabel | [] | [{"@value":"1,3-Butanedione, 1-phenyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | group_key=1-phenylbutane-1,3-dione||dimension=Environmental > media=Ground > geography=Agricultural; cas=93-91-4; added Common Chemistry CAS names as altLabel: 1,3-Butanedione, 1-phenyl-, 1-Benzoyl-2-propanone, 1-Benzoylacetone, 1-Methyl-3-phenyl-1,3-propanedione, 1-Phenyl-1,3-butanedione, 1-Phenylbutan-1,3-dione, 2-Acetylacetophenone, 2-Propanone, benzoyl-, 4-Oxo-4-phenylbutan-2-one, 4-Phenyl-2,4-butanedione, Acetoacetophenone, Acetylbenzoylmethane, Benzoylacetone, NSC 100655, NSC 4015, NSC 404283, NSC 405722, NSC 405723, NSC 405724, NSC 83580, NSC 83581, NSC 87898, NSC 88942, NSC 97232, NSC 97233, α-Acetylacetophenone; object_uuid=fo-b659b9d421420f24 |
| 259,296 | consensus_match | cas_match_labels | — | {"93-91-4":"exactMatch"} | group_key=1-phenylbutane-1,3-dione||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'93-91-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b659b9d421420f24: {'93-91-4': 'exactMatch'} |
| 274,166 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-phenylbutane-1,3-dione' |
| 280,582 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10O2"]… | rdkit_post_consensus from 'CC(=O)CC(=O)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,768 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Butanedione, 1-phenyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | [{"@value":"1,3-Butanedione, 1-phenyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | Removed 12 catalogue altLabel value(s): 'NSC 100655' (registry code), 'NSC 4015' (registry code), 'NSC 404283' (registry code), 'NSC 405722' (registry code), 'NSC 405723' (registry code), 'NSC 405724' (registry code), 'NSC 83580' (registry code), 'NSC 83581' (registry code), 'NSC 87898' (registry code), 'NSC 88942' (registry code), 'NSC 97232' (registry code), 'NSC 97233' (registry code) |
| 353,790 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a1165e48-47cf-… | associations resolved on the elementary layer |
| 388,452 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10O2"]… | typed the way the ontology types it |
| 395,194 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T0609040591070000/2633 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v0 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v1 |
| ef:activity/change/20260821T0609040591070000/2634 | name | ef:agent/bootstrap_labels | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v1 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v2 |
| ef:activity/change/20260821T0609040591070000/2635 | synonyms | ef:agent/bootstrap_labels | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v2 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v3 |
| ef:activity/change/20260821T0609040591070000/145590 | context | ef:agent/default_context_mapping | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v3 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v4 |
| ef:activity/change/20260821T0609040591070000/145591 | context_iri | ef:agent/default_context_mapping | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v4 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v5 |
| ef:activity/change/20260821T0609040591070000/214217 | unit_iri | ef:agent/unit_normalization | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v5 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v6 |
| ef:activity/change/20260821T0609040591070000/229711 | properties | ef:agent/enrich_references | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v6 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v7 |
| ef:activity/change/20260821T0609040591070000/229712 | skos_definition | ef:agent/enrich_references | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v7 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v8 |
| ef:activity/change/20260821T0609040591070000/229713 | references | ef:agent/enrich_references | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v8 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v9 |
| ef:activity/change/20260821T0609040591070000/249048 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v9 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v10 |
| ef:activity/change/20260821T0609040591070000/259295 | altLabel | ef:agent/consensus_match | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v10 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v11 |
| ef:activity/change/20260821T0609040591070000/259296 | cas_match_labels | ef:agent/consensus_match | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v11 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v12 |
| ef:activity/change/20260821T0609040591070000/274166 | properties | ef:agent/opsin_iupac | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v12 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v13 |
| ef:activity/change/20260821T0609040591070000/280582 | properties | ef:agent/rdkit_post_consensus | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v13 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v14 |
| ef:activity/change/20260821T0609040591070000/287768 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v14 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v15 |
| ef:activity/change/20260821T0609040591070000/353790 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v15 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v16 |
| ef:activity/change/20260821T0609040591070000/388452 | properties | ef:agent/normalise_property_values | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v16 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v17 |
| ef:activity/change/20260821T0609040591070000/395194 | types | ef:agent/link_flows_to_their_substance | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v17 | ef:flow/a1165e48-47cf-4e1b-a225-4dcac345a5c5/v18 |