Diacetyl
Everything that changed this flow. Back to the flow
0d79778a-6556-11dd-ad8b-0800200c9a66
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 8750' (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=diacetyl||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'431-03-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-03538d30057d0173: {'431-03-8': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 207-069-8 from CAS 431-03-8 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['431-03-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16583']; candidate_pubchem_cids=[650]; selected_pubchem_cids=[650]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 7,109 | bootstrap_labels | prefLabel | — | [{"@value":"diacetyl","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Bootstrapped prefLabel from legacy name field |
| 7,110 | bootstrap_labels | name | diacetyl | — | Purged legacy name field to enforce prefLabel usage |
| 7,111 | bootstrap_labels | synonyms | ["2,3-Butadione","2,3-Butanedione (8CI,9CI)","2,3-butandione","2,3-butanedione","2,3-diketobutane","2,3-dioxobutane","A… | [] | Removed legacy synonyms field in favor of structured labels |
| 44,582 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 44,583 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 215,712 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,727 | normalize_name_case | prefLabel | [{"@value":"diacetyl","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | [{"@value":"Diacetyl","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,799 | ec_cross_check | ec_numbers | [] | ["207-069-8"] | Resolved from EC-inventory: 207-069-8 from CAS 431-03-8 |
| 233,996 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,997 | enrich_references | skos_definition | — | [{"@value":"An α-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced du… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,998 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.586K","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['431-03-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16583']; candidate_pubchem_cids=[650]; selected_pubchem_cids=[650]; 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 |
| 250,282 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2"],"… | rdkit_pre_consensus from 'CC(=O)C(=O)C'; added: monoisotopic_mass |
| 255,278 | chebi_altlabels | altLabel | [] | [{"@value":"2,3-Butadione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,635 | consensus_match | altLabel | [{"@value":"2,3-Butadione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"2,3-Butadione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | group_key=diacetyl||dimension=Environmental > media=Air > strata=Long-term; cas=431-03-8; added Common Chemistry CAS names as altLabel: Butanedione, Dimethyl diketone, MeSH ID: D003931, NSC 8750; object_uuid=fo-03538d30057d0173 |
| 265,636 | consensus_match | cas_match_labels | — | {"431-03-8":"exactMatch"} | group_key=diacetyl||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'431-03-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-03538d30057d0173: {'431-03-8': 'exactMatch'} |
| 275,429 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,3-Butanedione' |
| 281,945 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2"],"… | rdkit_post_consensus from 'CC(=O)C(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,709 | strip_catalogue_altlabels | altLabel | [{"@value":"2,3-Butadione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"2,3-Butadione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Removed 1 catalogue altLabel value(s): 'NSC 8750' (registry code) |
| 303,317 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0d79778a-6556-… | associations resolved on the elementary layer |
| 389,738 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H6O2"],"… | typed the way the ontology types it |
| 397,018 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/7109 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v0 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260822T0600486828500000/7110 | name | ef:agent/bootstrap_labels | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v1 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260822T0600486828500000/7111 | synonyms | ef:agent/bootstrap_labels | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v2 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260822T0600486828500000/44582 | context | ef:agent/default_context_mapping | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v3 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260822T0600486828500000/44583 | context_iri | ef:agent/default_context_mapping | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v4 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260822T0600486828500000/215712 | unit_iri | ef:agent/unit_normalization | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v5 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260822T0600486828500000/222727 | prefLabel | ef:agent/normalize_name_case | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v6 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260822T0600486828500000/226799 | ec_numbers | ef:agent/ec_cross_check | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v7 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260822T0600486828500000/233996 | properties | ef:agent/enrich_references | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v8 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260822T0600486828500000/233997 | skos_definition | ef:agent/enrich_references | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v9 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260822T0600486828500000/233998 | references | ef:agent/enrich_references | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v10 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260822T0600486828500000/250282 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v11 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260822T0600486828500000/255278 | altLabel | ef:agent/chebi_altlabels | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v12 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260822T0600486828500000/265635 | altLabel | ef:agent/consensus_match | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v13 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260822T0600486828500000/265636 | cas_match_labels | ef:agent/consensus_match | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v14 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260822T0600486828500000/275429 | properties | ef:agent/opsin_iupac | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v15 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260822T0600486828500000/281945 | properties | ef:agent/rdkit_post_consensus | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v16 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260822T0600486828500000/288709 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v17 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260822T0600486828500000/303317 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v18 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260822T0600486828500000/389738 | properties | ef:agent/normalise_property_values | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v19 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v20 |
| ef:activity/change/20260822T0600486828500000/397018 | types | ef:agent/link_flows_to_their_substance | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v20 | ef:flow/0d79778a-6556-11dd-ad8b-0800200c9a66/v21 |