Diacetone alcohol
Everything that changed this flow. Back to the flow
f215987d-6555-11dd-ad8b-0800200c9a66
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 9005' (registry code) |
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=123-42-2; cc_chebi_agreed_name='Diacetone alcohol'; object_uuid=fo-963da103acee93b4 |
| cas_match_labels | 1 | consensus_match | group_key=4-hydroxy-4-methylpentan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-42-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-963da103acee93b4: {'123-42-2': '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 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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['123-42-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_55381']; candidate_pubchem_cids=[31256, 3286983]; selected_pubchem_cids=[31256]; 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 |
|---|---|---|---|---|---|
| 3,253 | bootstrap_labels | prefLabel | — | [{"@value":"4-hydroxy-4-methylpentan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Bootstrapped prefLabel from legacy name field |
| 3,254 | bootstrap_labels | name | 4-hydroxy-4-methylpentan-2-one | — | Purged legacy name field to enforce prefLabel usage |
| 3,255 | bootstrap_labels | synonyms | ["2-Hydroxy-2-methyl-4-pentanone","2-Methyl-2-pentanol-4-one","2-Pentanone, 4-hydroxy-4-methyl-","4-HYDROXY-4-METHYL-2-… | [] | Removed legacy synonyms field in favor of structured labels |
| 195,366 | 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 |
| 195,367 | 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 |
| 214,425 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 230,309 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,310 | enrich_references | skos_definition | — | [{"@value":"A β-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,311 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.540I","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['123-42-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_55381']; candidate_pubchem_cids=[31256, 3286983]; selected_pubchem_cids=[31256]; 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 |
| 254,755 | chebi_altlabels | altLabel | [] | [{"@value":"2-Methyl-2-pentanol-4-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,751 | consensus_match | prefLabel | [{"@value":"4-hydroxy-4-methylpentan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | [{"@value":"Diacetone alcohol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | cas=123-42-2; cc_chebi_agreed_name='Diacetone alcohol'; object_uuid=fo-963da103acee93b4 |
| 262,752 | consensus_match | altLabel | [{"@value":"2-Methyl-2-pentanol-4-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2-Methyl-2-pentanol-4-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | cas=123-42-2; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-963da103acee93b4 |
| 262,753 | consensus_match | altLabel | [{"@value":"2-Methyl-2-pentanol-4-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2-Methyl-2-pentanol-4-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | group_key=4-hydroxy-4-methylpentan-2-one||dimension=Environmental > media=Water > water_body=Ocean; cas=123-42-2; added Common Chemistry CAS names as altLabel: 2-Hydroxy-2-methyl-4-pentanone, 2-Methyl-4-oxo-2-pentanol, 2-Methyl-4-oxopentan-2-ol, 2-Pentanone, 4-hydroxy-4-methyl-, 4-Hydroxy-4-methyl-2-oxopentane, 4-Methyl-4-hydroxy-2-pentanone, Diketone alcohol, NSC 9005, Pyranton A, Tyranton; object_uuid=fo-963da103acee93b4 |
| 262,754 | consensus_match | cas_match_labels | — | {"123-42-2":"exactMatch"} | group_key=4-hydroxy-4-methylpentan-2-one||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-42-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-963da103acee93b4: {'123-42-2': 'exactMatch'} |
| 274,338 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diacetone alcohol' |
| 280,772 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | rdkit_post_consensus from 'CC(=O)CC(C)(C)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,901 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Methyl-2-pentanol-4-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2-Methyl-2-pentanol-4-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Removed 1 catalogue altLabel value(s): 'NSC 9005' (registry code) |
| 378,715 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f215987d-6555-… | associations resolved on the elementary layer |
| 388,635 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | typed the way the ontology types it |
| 395,452 | 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/20260822T0600486828500000/3253 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v0 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260822T0600486828500000/3254 | name | ef:agent/bootstrap_labels | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v1 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260822T0600486828500000/3255 | synonyms | ef:agent/bootstrap_labels | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v2 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260822T0600486828500000/195366 | context | ef:agent/default_context_mapping | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v3 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260822T0600486828500000/195367 | context_iri | ef:agent/default_context_mapping | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v4 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260822T0600486828500000/214425 | unit_iri | ef:agent/unit_normalization | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v5 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260822T0600486828500000/230309 | properties | ef:agent/enrich_references | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v6 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260822T0600486828500000/230310 | skos_definition | ef:agent/enrich_references | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v7 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260822T0600486828500000/230311 | references | ef:agent/enrich_references | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v8 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260822T0600486828500000/254755 | altLabel | ef:agent/chebi_altlabels | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v9 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260822T0600486828500000/262751 | prefLabel | ef:agent/consensus_match | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v10 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260822T0600486828500000/262752 | altLabel | ef:agent/consensus_match | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v11 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260822T0600486828500000/262753 | altLabel | ef:agent/consensus_match | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v12 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260822T0600486828500000/262754 | cas_match_labels | ef:agent/consensus_match | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v13 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260822T0600486828500000/274338 | properties | ef:agent/opsin_iupac | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v14 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260822T0600486828500000/280772 | properties | ef:agent/rdkit_post_consensus | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v15 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260822T0600486828500000/287901 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v16 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260822T0600486828500000/378715 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v17 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260822T0600486828500000/388635 | properties | ef:agent/normalise_property_values | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v18 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260822T0600486828500000/395452 | types | ef:agent/link_flows_to_their_substance | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v19 | ef:flow/f215987d-6555-11dd-ad8b-0800200c9a66/v20 |