Isophorone
Everything that changed this flow. Back to the flow
a1661fdf-f900-4c6f-97c0-b4d67f11ba13
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 403657' (registry code), 'NSC 4881' (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=isophorone||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'78-59-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d70b9fb874f69197: {'78-59-1': '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=['78-59-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34800']; candidate_pubchem_cids=[6544]; selected_pubchem_cids=[6544]; 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 |
|---|---|---|---|---|---|
| 24,558 | bootstrap_labels | prefLabel | — | [{"@value":"isophorone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"bri… | Bootstrapped prefLabel from legacy name field |
| 24,559 | bootstrap_labels | name | isophorone | — | Purged legacy name field to enforce prefLabel usage |
| 24,560 | bootstrap_labels | synonyms | ["3,5,5-trimethylcyclohex-2-enone","isophorone","2-cyclohexen-1-one, 3,5,5-trimethyl-","isophorene","3,5,5-trimethylcyc… | [] | Removed legacy synonyms field in favor of structured labels |
| 145,797 | 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 |
| 145,798 | 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 |
| 220,858 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,461 | normalize_name_case | prefLabel | [{"@value":"isophorone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"bri… | [{"@value":"Isophorone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"bri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 248,078 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 248,079 | enrich_references | skos_definition | — | [{"@value":"A cyclic ketone, the structure of which is that of cyclohex-2-en-1-one substituted by methyl groups at posi… | Merged ChEBI/PubChem definitions into skos:definition |
| 248,080 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.954B","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['78-59-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34800']; candidate_pubchem_cids=[6544]; selected_pubchem_cids=[6544]; 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 |
| 254,330 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | rdkit_pre_consensus from 'CC1=CC(=O)CC(C)(C)C1'; added: monoisotopic_mass |
| 257,348 | chebi_altlabels | altLabel | [] | [{"@value":"1,1,3-Trimethyl-3-cyclohexene-5-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,152 | consensus_match | altLabel | [{"@value":"1,1,3-Trimethyl-3-cyclohexene-5-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | [{"@value":"1,1,3-Trimethyl-3-cyclohexene-5-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | group_key=isophorone||dimension=Environmental > media=Air > indoor=Unknown; cas=78-59-1; added Common Chemistry CAS names as altLabel: 1,5,5-Trimethyl-3-oxocyclohexene, 1-Cyclohexen-3-one, 1,5,5-trimethyl-, 2-Cyclohexen-1-one, 3,5,5-trimethyl-, 3,5,5-Trimethyl-2-cyclohexen-1-one, 3,5,5-Trimethyl-2-cyclohexene-1-one, 3,5,5-Trimethyl-2-cyclohexenone, Isoforon, Isophoron, NSC 403657, NSC 4881, α-Isophoron, α-Isophorone; object_uuid=fo-d70b9fb874f69197 |
| 268,153 | consensus_match | cas_match_labels | — | {"78-59-1":"exactMatch"} | group_key=isophorone||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'78-59-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d70b9fb874f69197: {'78-59-1': 'exactMatch'} |
| 279,658 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isophorone' |
| 286,543 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | rdkit_post_consensus from 'CC1=CC(=O)CC(C)(C)C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,800 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,3-Trimethyl-3-cyclohexene-5-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | [{"@value":"1,1,3-Trimethyl-3-cyclohexene-5-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | Removed 2 catalogue altLabel value(s): 'NSC 403657' (registry code), 'NSC 4881' (registry code) |
| 353,937 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a1661fdf-f900-… | associations resolved on the elementary layer |
| 394,082 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | typed the way the ontology types it |
| 403,474 | 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/20261019T0712047113160000/24558 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v0 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v1 |
| ef:activity/change/20261019T0712047113160000/24559 | name | ef:agent/bootstrap_labels | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v1 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v2 |
| ef:activity/change/20261019T0712047113160000/24560 | synonyms | ef:agent/bootstrap_labels | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v2 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v3 |
| ef:activity/change/20261019T0712047113160000/145797 | context | ef:agent/default_context_mapping | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v3 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v4 |
| ef:activity/change/20261019T0712047113160000/145798 | context_iri | ef:agent/default_context_mapping | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v4 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v5 |
| ef:activity/change/20261019T0712047113160000/220858 | unit_iri | ef:agent/unit_normalization | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v5 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v6 |
| ef:activity/change/20261019T0712047113160000/226461 | prefLabel | ef:agent/normalize_name_case | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v6 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v7 |
| ef:activity/change/20261019T0712047113160000/248078 | properties | ef:agent/enrich_references | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v7 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v8 |
| ef:activity/change/20261019T0712047113160000/248079 | skos_definition | ef:agent/enrich_references | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v8 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v9 |
| ef:activity/change/20261019T0712047113160000/248080 | references | ef:agent/enrich_references | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v9 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v10 |
| ef:activity/change/20261019T0712047113160000/254330 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v10 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v11 |
| ef:activity/change/20261019T0712047113160000/257348 | altLabel | ef:agent/chebi_altlabels | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v11 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v12 |
| ef:activity/change/20261019T0712047113160000/268152 | altLabel | ef:agent/consensus_match | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v12 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v13 |
| ef:activity/change/20261019T0712047113160000/268153 | cas_match_labels | ef:agent/consensus_match | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v13 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v14 |
| ef:activity/change/20261019T0712047113160000/279658 | properties | ef:agent/opsin_iupac | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v14 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v15 |
| ef:activity/change/20261019T0712047113160000/286543 | properties | ef:agent/rdkit_post_consensus | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v15 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v16 |
| ef:activity/change/20261019T0712047113160000/291800 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v16 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v17 |
| ef:activity/change/20261019T0712047113160000/353937 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v17 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v18 |
| ef:activity/change/20261019T0712047113160000/394082 | properties | ef:agent/normalise_property_values | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v18 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v19 |
| ef:activity/change/20261019T0712047113160000/403474 | types | ef:agent/link_flows_to_their_substance | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v19 | ef:flow/a1661fdf-f900-4c6f-97c0-b4d67f11ba13/v20 |