3-cyano-3,5,5-trimethylcyclohexanone
Everything that changed this flow. Back to the flow
1b08aff6-27e0-4c69-922a-8ff951f5a4be
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 1 catalogue altLabel value(s): 'NSC 171143' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=3-cyano-3,5,5-trimethylcyclohexanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': '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 air > Emissions to air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 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=['7027-11-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[99068, 5230102]; selected_pubchem_cids=[99068]; 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 |
|---|---|---|---|---|---|
| 12,237 | bootstrap_labels | prefLabel | — | [{"@value":"3-cyano-3,5,5-trimethylcyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 12,238 | bootstrap_labels | name | 3-cyano-3,5,5-trimethylcyclohexanone | — | Purged legacy name field to enforce prefLabel usage |
| 12,239 | bootstrap_labels | synonyms | ["organic","3-cyano-3,5,5-trimethylcyclohexanone","isophoronenitrile"] | [] | Removed legacy synonyms field in favor of structured labels |
| 54,340 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 54,341 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 217,390 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 238,810 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,811 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,812 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.556C","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['7027-11-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[99068, 5230102]; selected_pubchem_cids=[99068]; 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 |
| 251,658 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | rdkit_pre_consensus from 'CC1(CC(=O)CC(C1)(C)C#N)C'; added: molecular_mass, monoisotopic_mass |
| 261,984 | consensus_match | altLabel | [] | [{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | group_key=3-cyano-3,5,5-trimethylcyclohexanone||dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff |
| 261,985 | consensus_match | cas_match_labels | — | {"7027-11-4":"exactMatch"} | group_key=3-cyano-3,5,5-trimethylcyclohexanone||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'} |
| 276,839 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-cyano-3,5,5-trimethylcyclohexanone' |
| 283,485 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | rdkit_post_consensus from 'CC1(C)CC(=O)CC(C)(C#N)C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,771 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | [{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensu… | Removed 1 catalogue altLabel value(s): 'NSC 171143' (registry code) |
| 308,197 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1b08aff6-27e0-… | associations resolved on the elementary layer |
| 391,199 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | typed the way the ontology types it |
| 399,129 | 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/20260821T1302361922970000/12237 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v0 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v1 |
| ef:activity/change/20260821T1302361922970000/12238 | name | ef:agent/bootstrap_labels | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v1 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v2 |
| ef:activity/change/20260821T1302361922970000/12239 | synonyms | ef:agent/bootstrap_labels | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v2 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v3 |
| ef:activity/change/20260821T1302361922970000/54340 | context | ef:agent/default_context_mapping | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v3 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v4 |
| ef:activity/change/20260821T1302361922970000/54341 | context_iri | ef:agent/default_context_mapping | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v4 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v5 |
| ef:activity/change/20260821T1302361922970000/217390 | unit_iri | ef:agent/unit_normalization | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v5 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v6 |
| ef:activity/change/20260821T1302361922970000/238810 | properties | ef:agent/enrich_references | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v6 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v7 |
| ef:activity/change/20260821T1302361922970000/238811 | skos_definition | ef:agent/enrich_references | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v7 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v8 |
| ef:activity/change/20260821T1302361922970000/238812 | references | ef:agent/enrich_references | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v8 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v9 |
| ef:activity/change/20260821T1302361922970000/251658 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v9 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v10 |
| ef:activity/change/20260821T1302361922970000/261984 | altLabel | ef:agent/consensus_match | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v10 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v11 |
| ef:activity/change/20260821T1302361922970000/261985 | cas_match_labels | ef:agent/consensus_match | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v11 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v12 |
| ef:activity/change/20260821T1302361922970000/276839 | properties | ef:agent/opsin_iupac | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v12 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v13 |
| ef:activity/change/20260821T1302361922970000/283485 | properties | ef:agent/rdkit_post_consensus | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v13 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v14 |
| ef:activity/change/20260821T1302361922970000/289771 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v14 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v15 |
| ef:activity/change/20260821T1302361922970000/308197 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v15 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v16 |
| ef:activity/change/20260821T1302361922970000/391199 | properties | ef:agent/normalise_property_values | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v16 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v17 |
| ef:activity/change/20260821T1302361922970000/399129 | types | ef:agent/link_flows_to_their_substance | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v17 | ef:flow/1b08aff6-27e0-4c69-922a-8ff951f5a4be/v18 |