Methyl 4-pyridyl Ketone
Everything that changed this flow. Back to the flow
245af252-f2f0-4f9b-89a6-981f95a16c03
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 1 catalogue altLabel value(s): 'NSC 111' (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=methyl4-pyridylketone||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1122-54-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6d9ff54ffcf2cf97: {'1122-54-9': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1122-54-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[14282]; selected_pubchem_cids=[14282]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 10,681 | bootstrap_labels | prefLabel | — | [{"@value":"methyl 4-pyridyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 10,682 | bootstrap_labels | name | methyl 4-pyridyl ketone | — | Purged legacy name field to enforce prefLabel usage |
| 10,683 | bootstrap_labels | synonyms | ["1-pyridin-4-ylethanone","4-Acetyl pyridine","4-Acetylpyridine","4-Pyridyl methyl ketone","A0113","AC-12446","AC1L23I2… | [] | Removed legacy synonyms field in favor of structured labels |
| 60,754 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 60,755 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 216,880 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,590 | normalize_name_case | prefLabel | [{"@value":"methyl 4-pyridyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"Methyl 4-pyridyl Ketone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,345 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,346 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,347 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J41.571E","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['1122-54-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[14282]; selected_pubchem_cids=[14282]; 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 |
| 251,233 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO"],"… | rdkit_pre_consensus from 'CC(=O)C1=CC=NC=C1'; added: molecular_mass, monoisotopic_mass |
| 268,771 | consensus_match | altLabel | [] | [{"@value":"1-(4-Pyridinyl)ethanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | group_key=methyl4-pyridylketone||dimension=Environmental > media=Water > water_body=Surface water; cas=1122-54-9; added Common Chemistry CAS names as altLabel: 1-(4-Pyridinyl)ethanone, 1-(4-Pyridyl)ethanone, 1-(Pyridin-4-yl)ethan-1-one, 1-(Pyridin-4-yl)ethanone, 4-Acetylpyridine, 4-Pyridinyl methyl ketone, 4-Pyridyl methyl ketone, 4-Pyridylethanone, Ethanone, 1-(4-pyridinyl)-, Ketone, methyl 4-pyridyl, Methyl pyridin-4-yl ketone, NSC 111, γ-Acetylpyridine; object_uuid=fo-6d9ff54ffcf2cf97 |
| 268,772 | consensus_match | cas_match_labels | — | {"1122-54-9":"exactMatch"} | group_key=methyl4-pyridylketone||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1122-54-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6d9ff54ffcf2cf97: {'1122-54-9': 'exactMatch'} |
| 276,417 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl 4-pyridyl Ketone' |
| 283,020 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO"],"… | rdkit_post_consensus from 'CC(=O)c1ccncc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,472 | strip_catalogue_altlabels | altLabel | [{"@value":"1-(4-Pyridinyl)ethanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | [{"@value":"1-(4-Pyridinyl)ethanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 111' (registry code) |
| 311,396 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/245af252-f2f0-… | associations resolved on the elementary layer |
| 390,770 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO"],"… | typed the way the ontology types it |
| 398,534 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260822T0600486828500000/10681 | prefLabel | ef:agent/bootstrap_labels | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v0 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v1 |
| ef:activity/change/20260822T0600486828500000/10682 | name | ef:agent/bootstrap_labels | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v1 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v2 |
| ef:activity/change/20260822T0600486828500000/10683 | synonyms | ef:agent/bootstrap_labels | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v2 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v3 |
| ef:activity/change/20260822T0600486828500000/60754 | context | ef:agent/default_context_mapping | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v3 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v4 |
| ef:activity/change/20260822T0600486828500000/60755 | context_iri | ef:agent/default_context_mapping | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v4 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v5 |
| ef:activity/change/20260822T0600486828500000/216880 | unit_iri | ef:agent/unit_normalization | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v5 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v6 |
| ef:activity/change/20260822T0600486828500000/223590 | prefLabel | ef:agent/normalize_name_case | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v6 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v7 |
| ef:activity/change/20260822T0600486828500000/237345 | properties | ef:agent/enrich_references | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v7 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v8 |
| ef:activity/change/20260822T0600486828500000/237346 | skos_definition | ef:agent/enrich_references | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v8 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v9 |
| ef:activity/change/20260822T0600486828500000/237347 | references | ef:agent/enrich_references | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v9 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v10 |
| ef:activity/change/20260822T0600486828500000/251233 | properties | ef:agent/rdkit_pre_consensus | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v10 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v11 |
| ef:activity/change/20260822T0600486828500000/268771 | altLabel | ef:agent/consensus_match | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v11 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v12 |
| ef:activity/change/20260822T0600486828500000/268772 | cas_match_labels | ef:agent/consensus_match | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v12 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v13 |
| ef:activity/change/20260822T0600486828500000/276417 | properties | ef:agent/opsin_iupac | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v13 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v14 |
| ef:activity/change/20260822T0600486828500000/283020 | properties | ef:agent/rdkit_post_consensus | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v14 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v15 |
| ef:activity/change/20260822T0600486828500000/289472 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v15 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v16 |
| ef:activity/change/20260822T0600486828500000/311396 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v16 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v17 |
| ef:activity/change/20260822T0600486828500000/390770 | properties | ef:agent/normalise_property_values | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v17 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v18 |
| ef:activity/change/20260822T0600486828500000/398534 | types | ef:agent/link_flows_to_their_substance | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v18 | ef:flow/245af252-f2f0-4f9b-89a6-981f95a16c03/v19 |