5-Methyl-2-hexanone
Everything that changed this flow. Back to the flow
950d0a50-65a8-46ba-97b0-8dd1b6d756b1
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 | group_key=5-methylhexan-2-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=110-12-3; added Common Chemistry CAS names as altLabel: 2-Hexanone, 5-methyl-, 3-Methylbutyl methyl ketone; object_uuid=fo-f4a9dcc93efc98b2 |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=110-12-3; cc_chebi_agreed_name='5-Methyl-2-hexanone'; object_uuid=fo-f4a9dcc93efc98b2 |
| cas_match_labels | 1 | consensus_match | group_key=5-methylhexan-2-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-12-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f4a9dcc93efc98b2: {'110-12-3': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['110-12-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88432']; candidate_pubchem_cids=[8034, 2773885]; selected_pubchem_cids=[8034]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,381 | bootstrap_labels | prefLabel | — | [{"@value":"5-methylhexan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 2,382 | bootstrap_labels | name | 5-methylhexan-2-one | — | Purged legacy name field to enforce prefLabel usage |
| 2,383 | bootstrap_labels | synonyms | ["2-Hexanone, 5-methyl-","2-Methyl-5-hexanone","5-METHYL-2-HEXANONE","AC1L1Q43","AC1Q1PAM","AKOS000119819","I0087","Iso… | [] | Removed legacy synonyms field in favor of structured labels |
| 138,364 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 138,365 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 214,133 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 229,468 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 229,469 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,470 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.968C","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['110-12-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88432']; candidate_pubchem_cids=[8034, 2773885]; selected_pubchem_cids=[8034]; 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 |
| 248,978 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | rdkit_pre_consensus from 'CC(=O)CCC(C)C'; added: monoisotopic_mass |
| 254,644 | chebi_altlabels | altLabel | [] | [{"@value":"(CH3)2CHCH2CH2COCH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Added 12 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,134 | consensus_match | prefLabel | [{"@value":"5-methylhexan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"5-Methyl-2-hexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributed… | cas=110-12-3; cc_chebi_agreed_name='5-Methyl-2-hexanone'; object_uuid=fo-f4a9dcc93efc98b2 |
| 263,135 | consensus_match | altLabel | [{"@value":"(CH3)2CHCH2CH2COCH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"(CH3)2CHCH2CH2COCH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | cas=110-12-3; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-f4a9dcc93efc98b2 |
| 263,136 | consensus_match | altLabel | [{"@value":"(CH3)2CHCH2CH2COCH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"(CH3)2CHCH2CH2COCH3","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | group_key=5-methylhexan-2-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=110-12-3; added Common Chemistry CAS names as altLabel: 2-Hexanone, 5-methyl-, 3-Methylbutyl methyl ketone; object_uuid=fo-f4a9dcc93efc98b2 |
| 263,137 | consensus_match | cas_match_labels | — | {"110-12-3":"exactMatch"} | group_key=5-methylhexan-2-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-12-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f4a9dcc93efc98b2: {'110-12-3': 'exactMatch'} |
| 274,097 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '5-Methyl-2-hexanone' |
| 280,510 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | rdkit_post_consensus from 'CC(=O)CCC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 350,183 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/950d0a50-65a8-… | associations resolved on the elementary layer |
| 388,388 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | typed the way the ontology types it |
| 395,105 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1554374006150000/2381 | prefLabel | ef:agent/bootstrap_labels | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v0 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v1 |
| ef:activity/change/20260821T1554374006150000/2382 | name | ef:agent/bootstrap_labels | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v1 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v2 |
| ef:activity/change/20260821T1554374006150000/2383 | synonyms | ef:agent/bootstrap_labels | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v2 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v3 |
| ef:activity/change/20260821T1554374006150000/138364 | context | ef:agent/default_context_mapping | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v3 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v4 |
| ef:activity/change/20260821T1554374006150000/138365 | context_iri | ef:agent/default_context_mapping | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v4 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v5 |
| ef:activity/change/20260821T1554374006150000/214133 | unit_iri | ef:agent/unit_normalization | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v5 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v6 |
| ef:activity/change/20260821T1554374006150000/229468 | properties | ef:agent/enrich_references | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v6 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v7 |
| ef:activity/change/20260821T1554374006150000/229469 | skos_definition | ef:agent/enrich_references | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v7 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v8 |
| ef:activity/change/20260821T1554374006150000/229470 | references | ef:agent/enrich_references | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v8 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v9 |
| ef:activity/change/20260821T1554374006150000/248978 | properties | ef:agent/rdkit_pre_consensus | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v9 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v10 |
| ef:activity/change/20260821T1554374006150000/254644 | altLabel | ef:agent/chebi_altlabels | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v10 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v11 |
| ef:activity/change/20260821T1554374006150000/263134 | prefLabel | ef:agent/consensus_match | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v11 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v12 |
| ef:activity/change/20260821T1554374006150000/263135 | altLabel | ef:agent/consensus_match | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v12 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v13 |
| ef:activity/change/20260821T1554374006150000/263136 | altLabel | ef:agent/consensus_match | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v13 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v14 |
| ef:activity/change/20260821T1554374006150000/263137 | cas_match_labels | ef:agent/consensus_match | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v14 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v15 |
| ef:activity/change/20260821T1554374006150000/274097 | properties | ef:agent/opsin_iupac | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v15 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v16 |
| ef:activity/change/20260821T1554374006150000/280510 | properties | ef:agent/rdkit_post_consensus | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v16 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v17 |
| ef:activity/change/20260821T1554374006150000/350183 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v17 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v18 |
| ef:activity/change/20260821T1554374006150000/388388 | properties | ef:agent/normalise_property_values | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v18 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v19 |
| ef:activity/change/20260821T1554374006150000/395105 | types | ef:agent/link_flows_to_their_substance | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v19 | ef:flow/950d0a50-65a8-46ba-97b0-8dd1b6d756b1/v20 |