2-Ethyl-2-hexenal
Everything that changed this flow. Back to the flow
06ee650d-3f5d-45ed-b878-9af8b2463d09
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'CKB 1364' (grade code), 'FEMA 4612' (grade code), 'NSC 4787' (registry code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=645-62-5; cc_chebi_agreed_name='2-Ethyl-2-hexenal'; object_uuid=fo-cfd6625ced07dd0d |
| cas_match_labels | 1 | consensus_match | group_key=2-ethylhex-2-enal||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'645-62-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cfd6625ced07dd0d: {'645-62-5': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['645-62-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88838']; candidate_pubchem_cids=[12582, 5354264, 10997035, 176482741]; selected_pubchem_cids=[]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,635 | bootstrap_labels | prefLabel | — | [{"@value":"2-ethylhex-2-enal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 5,636 | bootstrap_labels | name | 2-ethylhex-2-enal | — | Purged legacy name field to enforce prefLabel usage |
| 5,637 | bootstrap_labels | synonyms | ["(2E)-2-Ethyl-2-hexenal","(2E)-2-ethylhex-2-enal","(E)-2-ethylhex-2-enal",".alpha.-Ethyl-.beta.-N-propylacrolein",".al… | [] | Removed legacy synonyms field in favor of structured labels |
| 30,868 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 30,869 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 215,221 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 232,601 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=0, commonchemistry_cas=['645-62-5']) |
| 232,602 | enrich_references | skos_definition | — | [{"@value":"A monounsaturated fatty aldehyde that is hex-2-enal substituted by an ethyl group at position 2.","@languag… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,603 | enrich_references | references | [] | [{"@id":"agr:IND607150542","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['645-62-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88838']; candidate_pubchem_cids=[12582, 5354264, 10997035, 176482741]; selected_pubchem_cids=[]; 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 |
| 249,875 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O"],"… | rdkit_pre_consensus from '[H]C(=O)C(CC)=C([H])CCC'; added: monoisotopic_mass |
| 255,087 | chebi_altlabels | altLabel | [] | [{"@value":"2-ethyl-2-hexen-1-al","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,794 | consensus_match | prefLabel | [{"@value":"2-ethylhex-2-enal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"2-Ethyl-2-hexenal","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | cas=645-62-5; cc_chebi_agreed_name='2-Ethyl-2-hexenal'; object_uuid=fo-cfd6625ced07dd0d |
| 260,795 | consensus_match | altLabel | [{"@value":"2-ethyl-2-hexen-1-al","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"2-ethyl-2-hexen-1-al","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | cas=645-62-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-cfd6625ced07dd0d |
| 260,796 | consensus_match | altLabel | [{"@value":"2-ethyl-2-hexen-1-al","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"2-ethyl-2-hexen-1-al","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=2-ethylhex-2-enal||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=645-62-5; added Common Chemistry CAS names as altLabel: 2-Hexenal, 2-ethyl-, CKB 1364, NSC 4787, α-Ethyl-2-hexenal, α-Ethyl-β-propylacrolein; object_uuid=fo-cfd6625ced07dd0d |
| 260,797 | consensus_match | cas_match_labels | — | {"645-62-5":"exactMatch"} | group_key=2-ethylhex-2-enal||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'645-62-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cfd6625ced07dd0d: {'645-62-5': 'exactMatch'} |
| 275,012 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-Ethyl-2-hexenal' |
| 281,500 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O"],"… | rdkit_post_consensus from 'CCCC=C(C=O)CC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,403 | strip_catalogue_altlabels | altLabel | [{"@value":"2-ethyl-2-hexen-1-al","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"2-ethyl-2-hexen-1-al","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Removed 3 catalogue altLabel value(s): 'CKB 1364' (grade code), 'FEMA 4612' (grade code), 'NSC 4787' (registry code) |
| 296,473 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/06ee650d-3f5d-… | associations resolved on the elementary layer |
| 389,322 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O"],"… | typed the way the ontology types it |
| 396,417 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260821T1554374006150000/5635 | prefLabel | ef:agent/bootstrap_labels | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v0 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v1 |
| ef:activity/change/20260821T1554374006150000/5636 | name | ef:agent/bootstrap_labels | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v1 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v2 |
| ef:activity/change/20260821T1554374006150000/5637 | synonyms | ef:agent/bootstrap_labels | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v2 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v3 |
| ef:activity/change/20260821T1554374006150000/30868 | context | ef:agent/default_context_mapping | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v3 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v4 |
| ef:activity/change/20260821T1554374006150000/30869 | context_iri | ef:agent/default_context_mapping | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v4 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v5 |
| ef:activity/change/20260821T1554374006150000/215221 | unit_iri | ef:agent/unit_normalization | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v5 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v6 |
| ef:activity/change/20260821T1554374006150000/232601 | properties | ef:agent/enrich_references | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v6 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v7 |
| ef:activity/change/20260821T1554374006150000/232602 | skos_definition | ef:agent/enrich_references | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v7 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v8 |
| ef:activity/change/20260821T1554374006150000/232603 | references | ef:agent/enrich_references | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v8 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v9 |
| ef:activity/change/20260821T1554374006150000/249875 | properties | ef:agent/rdkit_pre_consensus | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v9 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v10 |
| ef:activity/change/20260821T1554374006150000/255087 | altLabel | ef:agent/chebi_altlabels | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v10 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v11 |
| ef:activity/change/20260821T1554374006150000/260794 | prefLabel | ef:agent/consensus_match | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v11 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v12 |
| ef:activity/change/20260821T1554374006150000/260795 | altLabel | ef:agent/consensus_match | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v12 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v13 |
| ef:activity/change/20260821T1554374006150000/260796 | altLabel | ef:agent/consensus_match | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v13 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v14 |
| ef:activity/change/20260821T1554374006150000/260797 | cas_match_labels | ef:agent/consensus_match | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v14 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v15 |
| ef:activity/change/20260821T1554374006150000/275012 | properties | ef:agent/opsin_iupac | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v15 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v16 |
| ef:activity/change/20260821T1554374006150000/281500 | properties | ef:agent/rdkit_post_consensus | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v16 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v17 |
| ef:activity/change/20260821T1554374006150000/288403 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v17 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v18 |
| ef:activity/change/20260821T1554374006150000/296473 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v18 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v19 |
| ef:activity/change/20260821T1554374006150000/389322 | properties | ef:agent/normalise_property_values | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v19 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v20 |
| ef:activity/change/20260821T1554374006150000/396417 | types | ef:agent/link_flows_to_their_substance | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v20 | ef:flow/06ee650d-3f5d-45ed-b878-9af8b2463d09/v21 |