4-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentanal
Everything that changed this flow. Back to the flow
5a1c68f1-4040-4f0c-a1aa-72dc19558402
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| altLabel | 1 | consensus_match | group_key=4-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentanal||dimension=Environmental > media=Air > strata=Long-term; cas=65405-84-7; added Common Chemistry CAS names as altLabel: 2-Methyl-4-(2,6,6-trimethyl-1(2)-cyclohexen-1-yl)butanal, Cetonal, Cyclohexenebutanal, α,2,2,6-tetramethyl-, α,2,2,6-Tetramethylcyclohexenebutanal; object_uuid=fo-cca9b572555e7a63 |
| cas_match_labels | 1 | consensus_match | group_key=4-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentanal||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'65405-84-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-cca9b572555e7a63: {'65405-84-7': '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=['65405-84-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[103381, 175482, 579157, 23686593, 90410069]; selected_pubchem_cids=[103381, 90410069]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,408 | bootstrap_labels | prefLabel | — | [{"@value":"4-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentanal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_… | Bootstrapped prefLabel from legacy name field |
| 2,409 | bootstrap_labels | name | 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentanal | — | Purged legacy name field to enforce prefLabel usage |
| 2,410 | bootstrap_labels | synonyms | ["organic","î±,2,2,6-tetramethylcyclohexene-1-butyraldehyde"] | [] | Removed legacy synonyms field in favor of structured labels |
| 103,338 | 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 |
| 103,339 | 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 |
| 214,142 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 229,494 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O","… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 229,495 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,496 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.602.719G","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['65405-84-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[103381, 175482, 579157, 23686593, 90410069]; selected_pubchem_cids=[103381, 90410069]; 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 |
| 248,985 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O","… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O","… | rdkit_pre_consensus from 'CC1=CCCC(C1C(C)CCC=O)(C)C'; added: molecular_mass, monoisotopic_mass |
| 262,449 | consensus_match | altLabel | [] | [{"@value":"2-Methyl-4-(2,6,6-trimethyl-1(2)-cyclohexen-1-yl)butanal","@language":"en","source":{"prov:wasGeneratedBy":… | group_key=4-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentanal||dimension=Environmental > media=Air > strata=Long-term; cas=65405-84-7; added Common Chemistry CAS names as altLabel: 2-Methyl-4-(2,6,6-trimethyl-1(2)-cyclohexen-1-yl)butanal, Cetonal, Cyclohexenebutanal, α,2,2,6-tetramethyl-, α,2,2,6-Tetramethylcyclohexenebutanal; object_uuid=fo-cca9b572555e7a63 |
| 262,450 | consensus_match | cas_match_labels | — | {"65405-84-7":"exactMatch"} | group_key=4-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentanal||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'65405-84-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-cca9b572555e7a63: {'65405-84-7': 'exactMatch'} |
| 274,105 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O","… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O","… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Cyclohexenebutanal, α,2,2,6-tetramethyl-' |
| 280,518 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O","… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O","… | rdkit_post_consensus from 'CC1=C(CCC(C)C=O)C(C)(C)CCC1'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,762 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O","… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H24O","… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| 332,666 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5a1c68f1-4040-… | associations resolved on the elementary layer |
| 395,115 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1554374006150000/2408 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v0 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v1 |
| ef:activity/change/20260821T1554374006150000/2409 | name | ef:agent/bootstrap_labels | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v1 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v2 |
| ef:activity/change/20260821T1554374006150000/2410 | synonyms | ef:agent/bootstrap_labels | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v2 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v3 |
| ef:activity/change/20260821T1554374006150000/103338 | context | ef:agent/default_context_mapping | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v3 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v4 |
| ef:activity/change/20260821T1554374006150000/103339 | context_iri | ef:agent/default_context_mapping | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v4 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v5 |
| ef:activity/change/20260821T1554374006150000/214142 | unit_iri | ef:agent/unit_normalization | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v5 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v6 |
| ef:activity/change/20260821T1554374006150000/229494 | properties | ef:agent/enrich_references | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v6 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v7 |
| ef:activity/change/20260821T1554374006150000/229495 | skos_definition | ef:agent/enrich_references | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v7 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v8 |
| ef:activity/change/20260821T1554374006150000/229496 | references | ef:agent/enrich_references | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v8 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v9 |
| ef:activity/change/20260821T1554374006150000/248985 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v9 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v10 |
| ef:activity/change/20260821T1554374006150000/262449 | altLabel | ef:agent/consensus_match | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v10 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v11 |
| ef:activity/change/20260821T1554374006150000/262450 | cas_match_labels | ef:agent/consensus_match | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v11 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v12 |
| ef:activity/change/20260821T1554374006150000/274105 | properties | ef:agent/opsin_iupac | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v12 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v13 |
| ef:activity/change/20260821T1554374006150000/280518 | properties | ef:agent/rdkit_post_consensus | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v13 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v14 |
| ef:activity/change/20260821T1554374006150000/286762 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v14 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v15 |
| ef:activity/change/20260821T1554374006150000/332666 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v15 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v16 |
| ef:activity/change/20260821T1554374006150000/395115 | types | ef:agent/link_flows_to_their_substance | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v16 | ef:flow/5a1c68f1-4040-4f0c-a1aa-72dc19558402/v17 |