4-(1,1-dimethylethyl)-cyclohexanone
Everything that changed this flow. Back to the flow
cf3cfd82-10cc-49d6-86ce-4561d1813314
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): 'C 64' (grade code), 'NSC 73717' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=4-(1,1-dimethylethyl)-cyclohexanone||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'98-53-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5c6c67d1ed16c395: {'98-53-3': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 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=['98-53-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_188365']; candidate_pubchem_cids=[7392]; selected_pubchem_cids=[7392]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 15,889 | bootstrap_labels | prefLabel | — | [{"@value":"4-(1,1-dimethylethyl)-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 15,890 | bootstrap_labels | name | 4-(1,1-dimethylethyl)-cyclohexanone | — | Purged legacy name field to enforce prefLabel usage |
| 15,891 | bootstrap_labels | synonyms | ["organic","4-tert-butylcyclohexanone","4-tert.-butylcyclohexanon"] | [] | Removed legacy synonyms field in favor of structured labels |
| 172,520 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 172,521 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 218,560 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,141 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,142 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,143 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J16.217E","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['98-53-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_188365']; candidate_pubchem_cids=[7392]; selected_pubchem_cids=[7392]; 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 |
| 252,629 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | rdkit_pre_consensus from 'CC(C)(C)C1CCC(=O)CC1'; added: monoisotopic_mass |
| 256,485 | chebi_altlabels | altLabel | [] | [{"@value":"4-tert-butylcyclohexan-1-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,435 | consensus_match | altLabel | [{"@value":"4-tert-butylcyclohexan-1-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"4-tert-butylcyclohexan-1-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | group_key=4-(1,1-dimethylethyl)-cyclohexanone||dimension=Environmental > media=Water > water_body=Surface water; cas=98-53-3; added Common Chemistry CAS names as altLabel: 4-(1,1-Dimethylethyl)cyclohexanone, 4-<em>tert</em>-Butylcyclohexanone, <em>p</em>-<em>tert</em>-Butylcyclohexanone, C 64, Cyclohexanone, 4-(1,1-dimethylethyl)-, Cyclohexanone, 4-<em>tert</em>-butyl-, NSC 73717, γ-<em>tert</em>-Butylcyclohexanone; object_uuid=fo-5c6c67d1ed16c395 |
| 262,436 | consensus_match | cas_match_labels | — | {"98-53-3":"exactMatch"} | group_key=4-(1,1-dimethylethyl)-cyclohexanone||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'98-53-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5c6c67d1ed16c395: {'98-53-3': 'exactMatch'} |
| 277,836 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-(1,1-dimethylethyl)-cyclohexanone' |
| 284,543 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | rdkit_post_consensus from 'CC(C)(C)C1CCC(=O)CC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,493 | strip_catalogue_altlabels | altLabel | [{"@value":"4-tert-butylcyclohexan-1-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"4-tert-butylcyclohexan-1-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Removed 2 catalogue altLabel value(s): 'C 64' (grade code), 'NSC 73717' (registry code) |
| 367,284 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/cf3cfd82-10cc-… | associations resolved on the elementary layer |
| 392,194 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O"],… | typed the way the ontology types it |
| 400,537 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1554374006150000/15889 | prefLabel | ef:agent/bootstrap_labels | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v0 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v1 |
| ef:activity/change/20260821T1554374006150000/15890 | name | ef:agent/bootstrap_labels | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v1 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v2 |
| ef:activity/change/20260821T1554374006150000/15891 | synonyms | ef:agent/bootstrap_labels | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v2 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v3 |
| ef:activity/change/20260821T1554374006150000/172520 | context | ef:agent/default_context_mapping | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v3 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v4 |
| ef:activity/change/20260821T1554374006150000/172521 | context_iri | ef:agent/default_context_mapping | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v4 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v5 |
| ef:activity/change/20260821T1554374006150000/218560 | unit_iri | ef:agent/unit_normalization | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v5 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v6 |
| ef:activity/change/20260821T1554374006150000/242141 | properties | ef:agent/enrich_references | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v6 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v7 |
| ef:activity/change/20260821T1554374006150000/242142 | skos_definition | ef:agent/enrich_references | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v7 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v8 |
| ef:activity/change/20260821T1554374006150000/242143 | references | ef:agent/enrich_references | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v8 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v9 |
| ef:activity/change/20260821T1554374006150000/252629 | properties | ef:agent/rdkit_pre_consensus | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v9 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v10 |
| ef:activity/change/20260821T1554374006150000/256485 | altLabel | ef:agent/chebi_altlabels | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v10 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v11 |
| ef:activity/change/20260821T1554374006150000/262435 | altLabel | ef:agent/consensus_match | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v11 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v12 |
| ef:activity/change/20260821T1554374006150000/262436 | cas_match_labels | ef:agent/consensus_match | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v12 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v13 |
| ef:activity/change/20260821T1554374006150000/277836 | properties | ef:agent/opsin_iupac | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v13 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v14 |
| ef:activity/change/20260821T1554374006150000/284543 | properties | ef:agent/rdkit_post_consensus | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v14 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v15 |
| ef:activity/change/20260821T1554374006150000/290493 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v15 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v16 |
| ef:activity/change/20260821T1554374006150000/367284 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v16 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v17 |
| ef:activity/change/20260821T1554374006150000/392194 | properties | ef:agent/normalise_property_values | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v17 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v18 |
| ef:activity/change/20260821T1554374006150000/400537 | types | ef:agent/link_flows_to_their_substance | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v18 | ef:flow/cf3cfd82-10cc-49d6-86ce-4561d1813314/v19 |