3-hexanone
Everything that changed this flow. Back to the flow
0d7a620f-6556-11dd-ad8b-0800200c9a66
By field
14 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 | 1 | chebi_altlabels | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| cas_match_labels | 1 | consensus_match | group_key=3-hexanone||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 209-645-4 from CAS 589-38-8 |
| 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=['589-38-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_89891']; candidate_pubchem_cids=[11509]; selected_pubchem_cids=[11509]; 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 |
|---|---|---|---|---|---|
| 7,465 | bootstrap_labels | prefLabel | — | [{"@value":"3-hexanone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Bootstrapped prefLabel from legacy name field |
| 7,466 | bootstrap_labels | name | 3-hexanone | — | Purged legacy name field to enforce prefLabel usage |
| 7,467 | bootstrap_labels | synonyms | ["3-Oxohexane","AC1L1XIG","AC1Q2UFE","Aethylpropylketon","Ethyl n-propyl ketone","Ethyl propyl ketone","H0115","Hexan-3… | [] | Removed legacy synonyms field in favor of structured labels |
| 45,292 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 45,293 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 215,831 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,821 | ec_cross_check | ec_numbers | [] | ["209-645-4"] | Resolved from EC-inventory: 209-645-4 from CAS 589-38-8 |
| 234,329 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 234,330 | enrich_references | skos_definition | — | [{"@value":"A dialkyl ketone that is hexane in which the two methylene protons at position 3 have been replaced by an o… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,331 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.348I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['589-38-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_89891']; candidate_pubchem_cids=[11509]; selected_pubchem_cids=[11509]; 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 |
| 250,374 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | rdkit_pre_consensus from 'CCCC(=O)CC'; added: monoisotopic_mass |
| 255,366 | chebi_altlabels | altLabel | [] | [{"@value":"3-Oxohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,011 | consensus_match | cas_match_labels | — | {"589-38-8":"exactMatch"} | group_key=3-hexanone||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'589-38-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-560eeae13e799131: {'589-38-8': 'exactMatch'} |
| 275,535 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-hexanone' |
| 282,056 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | rdkit_post_consensus from 'CCCC(=O)CC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 303,672 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0d7a620f-6556-… | associations resolved on the elementary layer |
| 389,846 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O"],"… | typed the way the ontology types it |
| 397,194 | 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/20260821T1302361922970000/7465 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v0 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260821T1302361922970000/7466 | name | ef:agent/bootstrap_labels | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v1 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260821T1302361922970000/7467 | synonyms | ef:agent/bootstrap_labels | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v2 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260821T1302361922970000/45292 | context | ef:agent/default_context_mapping | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v3 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260821T1302361922970000/45293 | context_iri | ef:agent/default_context_mapping | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v4 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260821T1302361922970000/215831 | unit_iri | ef:agent/unit_normalization | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v5 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260821T1302361922970000/226821 | ec_numbers | ef:agent/ec_cross_check | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v6 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260821T1302361922970000/234329 | properties | ef:agent/enrich_references | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v7 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260821T1302361922970000/234330 | skos_definition | ef:agent/enrich_references | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v8 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260821T1302361922970000/234331 | references | ef:agent/enrich_references | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v9 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260821T1302361922970000/250374 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v10 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260821T1302361922970000/255366 | altLabel | ef:agent/chebi_altlabels | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v11 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260821T1302361922970000/262011 | cas_match_labels | ef:agent/consensus_match | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v12 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260821T1302361922970000/275535 | properties | ef:agent/opsin_iupac | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v13 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260821T1302361922970000/282056 | properties | ef:agent/rdkit_post_consensus | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v14 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260821T1302361922970000/303672 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v15 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260821T1302361922970000/389846 | properties | ef:agent/normalise_property_values | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v16 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260821T1302361922970000/397194 | types | ef:agent/link_flows_to_their_substance | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v17 | ef:flow/0d7a620f-6556-11dd-ad8b-0800200c9a66/v18 |