Acetylacetone
Everything that changed this flow. Back to the flow
74767719-5d4b-469a-949c-0ec24e596140
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 8 catalogue altLabel value(s): 'NSC 139614' (registry code), 'NSC 2679' (registry code), 'NSC 2927' (registry code), 'NSC 52336' (registry code), 'NSC 54069' (registry code), 'NSC 5575' (registry code), 'NSC 77075' (registry code), 'NSC 78795' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=123-54-6; cc_chebi_agreed_name='Acetylacetone'; object_uuid=fo-b0c993dac61c2183 |
| cas_match_labels | 1 | consensus_match | group_key=pentane-2,4-dione||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-54-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b0c993dac61c2183: {'123-54-6': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['123-54-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_14750']; candidate_pubchem_cids=[31261, 20494703]; selected_pubchem_cids=[31261]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 10,835 | bootstrap_labels | prefLabel | — | [{"@value":"pentane-2,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 10,836 | bootstrap_labels | name | pentane-2,4-dione | — | Purged legacy name field to enforce prefLabel usage |
| 23,722 | bootstrap_labels | synonyms | ["acetylacetone","pentane-2,4-dione","pentanedione, 2,4-","2,4-pentanedione","2,4-dioxopentane","2-propanone,acetyl","a… | [] | Removed legacy synonyms field in favor of structured labels |
| 119,146 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 119,147 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 216,932 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,623 | normalize_name_case | prefLabel | [{"@value":"pentane-2,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Pentane-2,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,493 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,494 | enrich_references | skos_definition | — | [{"@value":"A β-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups.","@lan… | Merged ChEBI/PubChem definitions into skos:definition |
| 237,495 | enrich_references | references | [] | [{"@id":"gmelin:2537","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['123-54-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_14750']; candidate_pubchem_cids=[31261, 20494703]; selected_pubchem_cids=[31261]; 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 |
| 251,276 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | rdkit_pre_consensus from 'CC(=O)CC(=O)C'; added: monoisotopic_mass |
| 255,907 | chebi_altlabels | altLabel | [] | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | Added 12 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,466 | consensus_match | prefLabel | [{"@value":"Pentane-2,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Acetylacetone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | cas=123-54-6; cc_chebi_agreed_name='Acetylacetone'; object_uuid=fo-b0c993dac61c2183 |
| 270,467 | consensus_match | altLabel | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | cas=123-54-6; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-b0c993dac61c2183 |
| 270,468 | consensus_match | altLabel | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | group_key=pentane-2,4-dione||dimension=Environmental > media=Water > water_body=Ocean; cas=123-54-6; added Common Chemistry CAS names as altLabel: 2,4-Pentandione, 2-Propanone, acetyl-, Diacetylmethane, NSC 139614, NSC 2679, NSC 2927, NSC 52336, NSC 54069, NSC 5575, NSC 77075, NSC 78795; object_uuid=fo-b0c993dac61c2183 |
| 270,469 | consensus_match | cas_match_labels | — | {"123-54-6":"exactMatch"} | group_key=pentane-2,4-dione||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-54-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b0c993dac61c2183: {'123-54-6': 'exactMatch'} |
| 276,462 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Acetylacetone' |
| 283,068 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | rdkit_post_consensus from 'CC(=O)CC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,509 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | Removed 8 catalogue altLabel value(s): 'NSC 139614' (registry code), 'NSC 2679' (registry code), 'NSC 2927' (registry code), 'NSC 52336' (registry code), 'NSC 54069' (registry code), 'NSC 5575' (registry code), 'NSC 77075' (registry code), 'NSC 78795' (registry code) |
| 340,571 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/74767719-5d4b-… | associations resolved on the elementary layer |
| 390,817 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | typed the way the ontology types it |
| 398,595 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260821T1554374006150000/10835 | prefLabel | ef:agent/bootstrap_labels | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v0 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v1 |
| ef:activity/change/20260821T1554374006150000/10836 | name | ef:agent/bootstrap_labels | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v1 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v2 |
| ef:activity/change/20260821T1554374006150000/23722 | synonyms | ef:agent/bootstrap_labels | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v2 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v3 |
| ef:activity/change/20260821T1554374006150000/119146 | context | ef:agent/default_context_mapping | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v3 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v4 |
| ef:activity/change/20260821T1554374006150000/119147 | context_iri | ef:agent/default_context_mapping | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v4 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v5 |
| ef:activity/change/20260821T1554374006150000/216932 | unit_iri | ef:agent/unit_normalization | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v5 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v6 |
| ef:activity/change/20260821T1554374006150000/223623 | prefLabel | ef:agent/normalize_name_case | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v6 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v7 |
| ef:activity/change/20260821T1554374006150000/237493 | properties | ef:agent/enrich_references | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v7 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v8 |
| ef:activity/change/20260821T1554374006150000/237494 | skos_definition | ef:agent/enrich_references | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v8 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v9 |
| ef:activity/change/20260821T1554374006150000/237495 | references | ef:agent/enrich_references | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v9 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v10 |
| ef:activity/change/20260821T1554374006150000/251276 | properties | ef:agent/rdkit_pre_consensus | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v10 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v11 |
| ef:activity/change/20260821T1554374006150000/255907 | altLabel | ef:agent/chebi_altlabels | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v11 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v12 |
| ef:activity/change/20260821T1554374006150000/270466 | prefLabel | ef:agent/consensus_match | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v12 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v13 |
| ef:activity/change/20260821T1554374006150000/270467 | altLabel | ef:agent/consensus_match | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v13 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v14 |
| ef:activity/change/20260821T1554374006150000/270468 | altLabel | ef:agent/consensus_match | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v14 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v15 |
| ef:activity/change/20260821T1554374006150000/270469 | cas_match_labels | ef:agent/consensus_match | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v15 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v16 |
| ef:activity/change/20260821T1554374006150000/276462 | properties | ef:agent/opsin_iupac | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v16 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v17 |
| ef:activity/change/20260821T1554374006150000/283068 | properties | ef:agent/rdkit_post_consensus | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v17 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v18 |
| ef:activity/change/20260821T1554374006150000/289509 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v18 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v19 |
| ef:activity/change/20260821T1554374006150000/340571 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v19 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v20 |
| ef:activity/change/20260821T1554374006150000/390817 | properties | ef:agent/normalise_property_values | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v20 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v21 |
| ef:activity/change/20260821T1554374006150000/398595 | types | ef:agent/link_flows_to_their_substance | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v21 | ef:flow/74767719-5d4b-469a-949c-0ec24e596140/v22 |