2,6-dimethylheptan-4-one
Everything that changed this flow. Back to the flow
fd0e67a0-5232-43f2-a7e7-01c9fa433831
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 2 catalogue altLabel value(s): 'NSC 15136' (registry code), 'NSC 406913' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2,6-dimethylheptan-4-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-83-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-72e838e06dd00fab: {'108-83-8': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 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=['108-83-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[7899, 7958, 66949]; selected_pubchem_cids=[7958]; 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 |
|---|---|---|---|---|---|
| 200 | bootstrap_labels | prefLabel | — | [{"@value":"2,6-dimethylheptan-4-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 201 | bootstrap_labels | name | 2,6-dimethylheptan-4-one | — | Purged legacy name field to enforce prefLabel usage |
| 4,837 | bootstrap_labels | synonyms | ["2,6-Dimethyl-4-heptanone","2,6-Dimethyl-heptan-4-on","2,6-Dimethyl-heptan-4-on [Dutch, German]","2,6-Dimethyl-heptan-… | [] | Removed legacy synonyms field in favor of structured labels |
| 201,774 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 201,775 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 213,405 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,359 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,360 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,361 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.081D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['108-83-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[7899, 7958, 66949]; selected_pubchem_cids=[7958]; 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 |
| 248,367 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O"],"… | rdkit_pre_consensus from 'CC(C)CC(=O)CC(C)C'; added: molecular_mass, monoisotopic_mass |
| 260,148 | consensus_match | altLabel | [] | [{"@value":"2,6-Dimethyl-4-heptanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | group_key=2,6-dimethylheptan-4-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=108-83-8; added Common Chemistry CAS names as altLabel: 2,6-Dimethyl-4-heptanone, 4-Heptanone, 2,6-dimethyl-, <em>s</em>-Diisopropylacetone, DIBC, DIBK, Diisobutyl ketone, Isobutyl ketone, Isovalerone, NSC 15136, NSC 406913; object_uuid=fo-72e838e06dd00fab |
| 260,149 | consensus_match | cas_match_labels | — | {"108-83-8":"exactMatch"} | group_key=2,6-dimethylheptan-4-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-83-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-72e838e06dd00fab: {'108-83-8': 'exactMatch'} |
| 273,509 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,6-dimethylheptan-4-one' |
| 279,862 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O"],"… | rdkit_post_consensus from 'CC(C)CC(=O)CC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,307 | strip_catalogue_altlabels | altLabel | [{"@value":"2,6-Dimethyl-4-heptanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | [{"@value":"2,6-Dimethyl-4-heptanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttri… | Removed 2 catalogue altLabel value(s): 'NSC 15136' (registry code), 'NSC 406913' (registry code) |
| 381,941 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fd0e67a0-5232-… | associations resolved on the elementary layer |
| 387,788 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H18O"],"… | typed the way the ontology types it |
| 394,263 | 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/20260820T0738569779880000/200 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v0 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v1 |
| ef:activity/change/20260820T0738569779880000/201 | name | ef:agent/bootstrap_labels | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v1 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v2 |
| ef:activity/change/20260820T0738569779880000/4837 | synonyms | ef:agent/bootstrap_labels | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v2 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v3 |
| ef:activity/change/20260820T0738569779880000/201774 | context | ef:agent/default_context_mapping | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v3 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v4 |
| ef:activity/change/20260820T0738569779880000/201775 | context_iri | ef:agent/default_context_mapping | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v4 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v5 |
| ef:activity/change/20260820T0738569779880000/213405 | unit_iri | ef:agent/unit_normalization | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v5 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v6 |
| ef:activity/change/20260820T0738569779880000/227359 | properties | ef:agent/enrich_references | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v6 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v7 |
| ef:activity/change/20260820T0738569779880000/227360 | skos_definition | ef:agent/enrich_references | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v7 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v8 |
| ef:activity/change/20260820T0738569779880000/227361 | references | ef:agent/enrich_references | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v8 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v9 |
| ef:activity/change/20260820T0738569779880000/248367 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v9 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v10 |
| ef:activity/change/20260820T0738569779880000/260148 | altLabel | ef:agent/consensus_match | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v10 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v11 |
| ef:activity/change/20260820T0738569779880000/260149 | cas_match_labels | ef:agent/consensus_match | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v11 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v12 |
| ef:activity/change/20260820T0738569779880000/273509 | properties | ef:agent/opsin_iupac | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v12 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v13 |
| ef:activity/change/20260820T0738569779880000/279862 | properties | ef:agent/rdkit_post_consensus | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v13 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v14 |
| ef:activity/change/20260820T0738569779880000/287307 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v14 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v15 |
| ef:activity/change/20260820T0738569779880000/381941 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v15 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v16 |
| ef:activity/change/20260820T0738569779880000/387788 | properties | ef:agent/normalise_property_values | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v16 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v17 |
| ef:activity/change/20260820T0738569779880000/394263 | types | ef:agent/link_flows_to_their_substance | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v17 | ef:flow/fd0e67a0-5232-43f2-a7e7-01c9fa433831/v18 |