2,4-diethyl Pyridine-2,4-dicarboxylate
Everything that changed this flow. Back to the flow
11f649a2-e42e-422c-8338-4e1f19100f84
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=2,4-diethylpyridine-2,4-dicarboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41438-38-4; added Common Chemistry CAS names as altLabel: 2,4-Pyridinedicarboxylic acid, 2,4-diethyl ester, 2,4-Pyridinedicarboxylic acid, diethyl ester, Diethyl 2,4-pyridinedicarboxylate, Diethyl lutidinate, Mexoryl SBU; object_uuid=fo-adc823ebeaee8086 |
| cas_match_labels | 1 | consensus_match | group_key=2,4-diethylpyridine-2,4-dicarboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'41438-38-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-adc823ebeaee8086: {'41438-38-4': '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 water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['41438-38-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[170509, 22603844, 53249546]; selected_pubchem_cids=[170509]; 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 |
|---|---|---|---|---|---|
| 13,502 | bootstrap_labels | prefLabel | — | [{"@value":"2,4-diethyl pyridine-2,4-dicarboxylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Bootstrapped prefLabel from legacy name field |
| 13,503 | bootstrap_labels | name | 2,4-diethyl pyridine-2,4-dicarboxylate | — | Purged legacy name field to enforce prefLabel usage |
| 13,504 | bootstrap_labels | synonyms | ["mexorylsbu","2,4-diethylpyridine-2,4-dicarboxylate","2,4-pyridinedicarboxylicacid,diethylester"] | [] | Removed legacy synonyms field in favor of structured labels |
| 47,942 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 47,943 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 217,800 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,218 | normalize_name_case | prefLabel | [{"@value":"2,4-diethyl pyridine-2,4-dicarboxylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | [{"@value":"2,4-diethyl Pyridine-2,4-dicarboxylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,976 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13NO4"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,977 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,978 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.337.719G","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['41438-38-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[170509, 22603844, 53249546]; selected_pubchem_cids=[170509]; 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 |
| 251,999 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13NO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13NO4"… | rdkit_pre_consensus from 'CCOC(=O)C1=CC(=NC=C1)C(=O)OCC'; added: molecular_mass, monoisotopic_mass |
| 259,944 | consensus_match | altLabel | [] | [{"@value":"2,4-Pyridinedicarboxylic acid, 2,4-diethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consens… | group_key=2,4-diethylpyridine-2,4-dicarboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41438-38-4; added Common Chemistry CAS names as altLabel: 2,4-Pyridinedicarboxylic acid, 2,4-diethyl ester, 2,4-Pyridinedicarboxylic acid, diethyl ester, Diethyl 2,4-pyridinedicarboxylate, Diethyl lutidinate, Mexoryl SBU; object_uuid=fo-adc823ebeaee8086 |
| 259,945 | consensus_match | cas_match_labels | — | {"41438-38-4":"exactMatch"} | group_key=2,4-diethylpyridine-2,4-dicarboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'41438-38-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-adc823ebeaee8086: {'41438-38-4': 'exactMatch'} |
| 277,193 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13NO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13NO4"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,4-diethyl Pyridine-2,4-dicarboxylate' |
| 283,853 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13NO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13NO4"… | rdkit_post_consensus from 'CCOC(=O)c1ccnc(C(=O)OCC)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 304,991 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/11f649a2-e42e-… | associations resolved on the elementary layer |
| 391,535 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13NO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H13NO4"… | typed the way the ontology types it |
| 399,615 | 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/20260821T0609040591070000/13502 | prefLabel | ef:agent/bootstrap_labels | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v0 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v1 |
| ef:activity/change/20260821T0609040591070000/13503 | name | ef:agent/bootstrap_labels | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v1 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v2 |
| ef:activity/change/20260821T0609040591070000/13504 | synonyms | ef:agent/bootstrap_labels | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v2 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v3 |
| ef:activity/change/20260821T0609040591070000/47942 | context | ef:agent/default_context_mapping | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v3 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v4 |
| ef:activity/change/20260821T0609040591070000/47943 | context_iri | ef:agent/default_context_mapping | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v4 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v5 |
| ef:activity/change/20260821T0609040591070000/217800 | unit_iri | ef:agent/unit_normalization | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v5 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v6 |
| ef:activity/change/20260821T0609040591070000/224218 | prefLabel | ef:agent/normalize_name_case | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v6 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v7 |
| ef:activity/change/20260821T0609040591070000/239976 | properties | ef:agent/enrich_references | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v7 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v8 |
| ef:activity/change/20260821T0609040591070000/239977 | skos_definition | ef:agent/enrich_references | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v8 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v9 |
| ef:activity/change/20260821T0609040591070000/239978 | references | ef:agent/enrich_references | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v9 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v10 |
| ef:activity/change/20260821T0609040591070000/251999 | properties | ef:agent/rdkit_pre_consensus | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v10 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v11 |
| ef:activity/change/20260821T0609040591070000/259944 | altLabel | ef:agent/consensus_match | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v11 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v12 |
| ef:activity/change/20260821T0609040591070000/259945 | cas_match_labels | ef:agent/consensus_match | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v12 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v13 |
| ef:activity/change/20260821T0609040591070000/277193 | properties | ef:agent/opsin_iupac | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v13 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v14 |
| ef:activity/change/20260821T0609040591070000/283853 | properties | ef:agent/rdkit_post_consensus | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v14 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v15 |
| ef:activity/change/20260821T0609040591070000/304991 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v15 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v16 |
| ef:activity/change/20260821T0609040591070000/391535 | properties | ef:agent/normalise_property_values | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v16 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v17 |
| ef:activity/change/20260821T0609040591070000/399615 | types | ef:agent/link_flows_to_their_substance | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v17 | ef:flow/11f649a2-e42e-422c-8338-4e1f19100f84/v18 |