Ezetimibe Intermediate
Everything that changed this flow. Back to the flow
099f8efe-370c-4466-8e74-55f81cc23666
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=ezetimibeintermediate||dimension=Environmental > media=Air > strata=Long-term; group_sources=[]; cas_sources={'189028-93-1': []}; assigned CAS labels from group consensus; object_uuid=fo-8cb6595de75a655a: {'189028-93-1': '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 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=['189028-93-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[11187377, 22052685, 29979217]; selected_pubchem_cids=[11187377]; 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 |
|---|---|---|---|---|---|
| 9,674 | bootstrap_labels | prefLabel | — | [{"@value":"ezetimibe intermediate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 9,675 | bootstrap_labels | name | ezetimibe intermediate | — | Purged legacy name field to enforce prefLabel usage |
| 9,676 | bootstrap_labels | synonyms | ["organic","ave5530eva-ket","eva-ket"] | [] | Removed legacy synonyms field in favor of structured labels |
| 42,280 | 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) |
| 42,281 | 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) |
| 216,553 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,363 | normalize_name_case | prefLabel | [{"@value":"ezetimibe intermediate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Ezetimibe Intermediate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,424 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H18FNO4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,425 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,426 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.858.293G","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['189028-93-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[11187377, 22052685, 29979217]; selected_pubchem_cids=[11187377]; 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 |
| 250,973 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H18FNO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H18FNO4… | rdkit_pre_consensus from 'C1C(N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 266,996 | consensus_match | altLabel | [] | [{"@value":"(4<em>S</em>)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one","@language":"en","source… | group_key=ezetimibeintermediate||dimension=Environmental > media=Air > strata=Long-term; cas=189028-93-1; added Common Chemistry CAS names as altLabel: (4<em>S</em>)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one, (<em>S</em>)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione, (<em>S</em>)-3-[4-(4-Fluorobenzoyl)-1-oxobutyl]-4-phenyloxazolidin-2-one, (<em>S</em>)-3-[5-(4-Fluorophenyl)-1,5-dioxopentyl]-4-phenyloxazolidin-2-one, 1,5-Pentanedione, 1-(4-fluorophenyl)-5-[(4<em>S</em>)-2-oxo-4-phenyl-3-oxazolidinyl]-, 1-(4-Fluorophenyl)-5-[(4<em>S</em>)-2-oxo-4-phenyl-3-oxazolidinyl]-1,5-pentanedione, 1-(4-Fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione, 2-Oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4<em>S</em>)-, 2-Oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (<em>S</em>)-; object_uuid=fo-8cb6595de75a655a |
| 266,997 | consensus_match | cas_match_labels | — | {"189028-93-1":"exactMatch"} | group_key=ezetimibeintermediate||dimension=Environmental > media=Air > strata=Long-term; group_sources=[]; cas_sources={'189028-93-1': []}; assigned CAS labels from group consensus; object_uuid=fo-8cb6595de75a655a: {'189028-93-1': 'exactMatch'} |
| 276,160 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H18FNO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H18FNO4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(4S)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one' |
| 282,740 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H18FNO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H18FNO4… | rdkit_post_consensus from 'O=C(CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,459 | dedupe_altlabels | altLabel | [{"@value":"(4<em>S</em>)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one","@language":"en","source… | [{"@value":"(4S)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one","@language":"en","source":{"prov:… | Deduplicated altLabel values and removed entries matching prefLabel |
| 302,165 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/099f8efe-370c-… | associations resolved on the elementary layer |
| 390,505 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H18FNO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H18FNO4… | typed the way the ontology types it |
| 398,138 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 398,139 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H18FNO4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H18FNO4… | 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/20260822T0600486828500000/9674 | prefLabel | ef:agent/bootstrap_labels | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v0 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v1 |
| ef:activity/change/20260822T0600486828500000/9675 | name | ef:agent/bootstrap_labels | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v1 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v2 |
| ef:activity/change/20260822T0600486828500000/9676 | synonyms | ef:agent/bootstrap_labels | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v2 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v3 |
| ef:activity/change/20260822T0600486828500000/42280 | context | ef:agent/default_context_mapping | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v3 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v4 |
| ef:activity/change/20260822T0600486828500000/42281 | context_iri | ef:agent/default_context_mapping | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v4 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v5 |
| ef:activity/change/20260822T0600486828500000/216553 | unit_iri | ef:agent/unit_normalization | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v5 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v6 |
| ef:activity/change/20260822T0600486828500000/223363 | prefLabel | ef:agent/normalize_name_case | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v6 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v7 |
| ef:activity/change/20260822T0600486828500000/236424 | properties | ef:agent/enrich_references | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v7 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v8 |
| ef:activity/change/20260822T0600486828500000/236425 | skos_definition | ef:agent/enrich_references | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v8 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v9 |
| ef:activity/change/20260822T0600486828500000/236426 | references | ef:agent/enrich_references | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v9 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v10 |
| ef:activity/change/20260822T0600486828500000/250973 | properties | ef:agent/rdkit_pre_consensus | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v10 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v11 |
| ef:activity/change/20260822T0600486828500000/266996 | altLabel | ef:agent/consensus_match | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v11 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v12 |
| ef:activity/change/20260822T0600486828500000/266997 | cas_match_labels | ef:agent/consensus_match | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v12 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v13 |
| ef:activity/change/20260822T0600486828500000/276160 | properties | ef:agent/opsin_iupac | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v13 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v14 |
| ef:activity/change/20260822T0600486828500000/282740 | properties | ef:agent/rdkit_post_consensus | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v14 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v15 |
| ef:activity/change/20260822T0600486828500000/292459 | altLabel | ef:agent/dedupe_altlabels | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v15 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v16 |
| ef:activity/change/20260822T0600486828500000/302165 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v16 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v17 |
| ef:activity/change/20260822T0600486828500000/390505 | properties | ef:agent/normalise_property_values | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v17 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v18 |
| ef:activity/change/20260822T0600486828500000/398138 | types | ef:agent/link_flows_to_their_substance | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v18 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v19 |
| ef:activity/change/20260822T0600486828500000/398139 | properties | ef:agent/link_flows_to_their_substance | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v19 | ef:flow/099f8efe-370c-4466-8e74-55f81cc23666/v20 |