Methyl Isobutyl Ketone
Everything that changed this flow. Back to the flow
f2148723-6555-11dd-ad8b-0800200c9a66
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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 5712' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=methylisobutylketone||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'108-10-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5a5071626dec875c: {'108-10-1': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['108-10-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82344']; candidate_pubchem_cids=[45, 7909, 7910]; selected_pubchem_cids=[7909]; 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 |
|---|---|---|---|---|---|
| 25,579 | bootstrap_labels | prefLabel | — | [{"@value":"methyl isobutyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 25,580 | bootstrap_labels | name | methyl isobutyl ketone | — | Purged legacy name field to enforce prefLabel usage |
| 25,697 | bootstrap_labels | synonyms | ["2-Methyl-4-pentanone","2-Methylpropyl methyl ketone","2-PENTANONE,4-METHYL METHYL,ISOBUTYL,KETONE","2-Pentanone, 4-me… | [] | Removed legacy synonyms field in favor of structured labels |
| 194,696 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 194,697 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 221,028 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,614 | normalize_name_case | prefLabel | [{"@value":"methyl isobutyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Methyl Isobutyl Ketone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 248,247 | 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) |
| 248,248 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 248,249 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.861D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['108-10-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82344']; candidate_pubchem_cids=[45, 7909, 7910]; selected_pubchem_cids=[7909]; 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 |
| 254,368 | 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 'CC(=O)CC(C)C'; added: monoisotopic_mass |
| 257,393 | chebi_altlabels | altLabel | [] | [{"@value":"2-Methyl-4-pentanal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Added 26 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,850 | consensus_match | altLabel | [{"@value":"2-Methyl-4-pentanal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"2-Methyl-4-pentanal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | group_key=methylisobutylketone||dimension=Environmental > media=Air > indoor=Unknown; cas=108-10-1; added Common Chemistry CAS names as altLabel: 2-Pentanone, 4-methyl-, MIBK, MIK, Methyl 2-methylpropyl ketone, Methyl <em>iso</em>-butyl ketone, NSC 5712, ZMD-D; object_uuid=fo-5a5071626dec875c |
| 268,851 | consensus_match | cas_match_labels | — | {"108-10-1":"exactMatch"} | group_key=methylisobutylketone||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'108-10-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5a5071626dec875c: {'108-10-1': 'exactMatch'} |
| 279,731 | 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 'Methyl Isobutyl Ketone' |
| 286,626 | 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 'CC(=O)CC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,849 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Methyl-4-pentanal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"2-Methyl-4-pentanal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Removed 1 catalogue altLabel value(s): 'NSC 5712' (registry code) |
| 378,380 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f2148723-6555-… | associations resolved on the elementary layer |
| 394,138 | 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 |
| 403,668 | 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/20260822T0600486828500000/25579 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v0 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260822T0600486828500000/25580 | name | ef:agent/bootstrap_labels | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v1 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260822T0600486828500000/25697 | synonyms | ef:agent/bootstrap_labels | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v2 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260822T0600486828500000/194696 | context | ef:agent/default_context_mapping | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v3 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260822T0600486828500000/194697 | context_iri | ef:agent/default_context_mapping | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v4 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260822T0600486828500000/221028 | unit_iri | ef:agent/unit_normalization | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v5 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260822T0600486828500000/226614 | prefLabel | ef:agent/normalize_name_case | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v6 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260822T0600486828500000/248247 | properties | ef:agent/enrich_references | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v7 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260822T0600486828500000/248248 | skos_definition | ef:agent/enrich_references | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v8 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260822T0600486828500000/248249 | references | ef:agent/enrich_references | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v9 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260822T0600486828500000/254368 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v10 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260822T0600486828500000/257393 | altLabel | ef:agent/chebi_altlabels | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v11 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260822T0600486828500000/268850 | altLabel | ef:agent/consensus_match | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v12 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260822T0600486828500000/268851 | cas_match_labels | ef:agent/consensus_match | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v13 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260822T0600486828500000/279731 | properties | ef:agent/opsin_iupac | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v14 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260822T0600486828500000/286626 | properties | ef:agent/rdkit_post_consensus | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v15 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260822T0600486828500000/291849 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v16 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260822T0600486828500000/378380 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v17 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260822T0600486828500000/394138 | properties | ef:agent/normalise_property_values | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v18 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260822T0600486828500000/403668 | types | ef:agent/link_flows_to_their_substance | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v19 | ef:flow/f2148723-6555-11dd-ad8b-0800200c9a66/v20 |