Diethyl 2-(2-oxopropyl)butanedioate
Everything that changed this flow. Back to the flow
5dda86d6-e7a9-4652-b50c-1eb5bd71f091
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=diethyl2-(2-oxopropyl)butanedioate||dimension=Environmental > media=Air > strata=Long-term; cas=1187-74-2; added Common Chemistry CAS names as altLabel: (2-Oxopropyl)butanedioic acid diethyl ester, 1,4-Diethyl 2-(2-oxopropyl)butanedioate, Butanedioic acid, (2-oxopropyl)-, diethyl ester, Butanedioic acid, 2-(2-oxopropyl)-, 1,4-diethyl ester, Diethyl acetonylsuccinate, Succinic acid, acetonyl-, diethyl ester; object_uuid=fo-fd8f514b9e553da7 |
| cas_match_labels | 1 | consensus_match | group_key=diethyl2-(2-oxopropyl)butanedioate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['pubchem']; cas_sources={'1187-74-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fd8f514b9e553da7: {'1187-74-2': '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=['1187-74-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[106489, 5463816, 19083028, 91872436]; selected_pubchem_cids=[5463816]; 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 |
|---|---|---|---|---|---|
| 18,500 | bootstrap_labels | prefLabel | — | [{"@value":"diethyl 2-(2-oxopropyl)butanedioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 18,501 | bootstrap_labels | name | diethyl 2-(2-oxopropyl)butanedioate | — | Purged legacy name field to enforce prefLabel usage |
| 18,502 | bootstrap_labels | synonyms | ["organic","diethyl4-oxopentane-1,2-dicarboxylate","ase","deas"] | [] | Removed legacy synonyms field in favor of structured labels |
| 105,460 | 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 |
| 105,461 | 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 |
| 219,385 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,307 | normalize_name_case | prefLabel | [{"@value":"diethyl 2-(2-oxopropyl)butanedioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | [{"@value":"Diethyl 2-(2-oxopropyl)butanedioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,459 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18O5"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,460 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,461 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.629.004A","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['1187-74-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[106489, 5463816, 19083028, 91872436]; selected_pubchem_cids=[5463816]; 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 |
| 253,297 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18O5"]… | rdkit_pre_consensus from 'CCOC(=O)CC(CC(=O)C)C(=O)OCC'; added: molecular_mass, monoisotopic_mass |
| 265,878 | consensus_match | altLabel | [] | [{"@value":"(2-Oxopropyl)butanedioic acid diethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | group_key=diethyl2-(2-oxopropyl)butanedioate||dimension=Environmental > media=Air > strata=Long-term; cas=1187-74-2; added Common Chemistry CAS names as altLabel: (2-Oxopropyl)butanedioic acid diethyl ester, 1,4-Diethyl 2-(2-oxopropyl)butanedioate, Butanedioic acid, (2-oxopropyl)-, diethyl ester, Butanedioic acid, 2-(2-oxopropyl)-, 1,4-diethyl ester, Diethyl acetonylsuccinate, Succinic acid, acetonyl-, diethyl ester; object_uuid=fo-fd8f514b9e553da7 |
| 265,879 | consensus_match | cas_match_labels | — | {"1187-74-2":"exactMatch"} | group_key=diethyl2-(2-oxopropyl)butanedioate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['pubchem']; cas_sources={'1187-74-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fd8f514b9e553da7: {'1187-74-2': 'exactMatch'} |
| 278,507 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18O5"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diethyl 2-(2-oxopropyl)butanedioate' |
| 285,274 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18O5"]… | rdkit_post_consensus from 'CCOC(=O)CC(CC(C)=O)C(=O)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 333,728 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5dda86d6-e7a9-… | associations resolved on the elementary layer |
| 392,874 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18O5"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H18O5"]… | typed the way the ontology types it |
| 401,549 | 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/20260822T0600486828500000/18500 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v0 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v1 |
| ef:activity/change/20260822T0600486828500000/18501 | name | ef:agent/bootstrap_labels | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v1 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v2 |
| ef:activity/change/20260822T0600486828500000/18502 | synonyms | ef:agent/bootstrap_labels | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v2 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v3 |
| ef:activity/change/20260822T0600486828500000/105460 | context | ef:agent/default_context_mapping | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v3 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v4 |
| ef:activity/change/20260822T0600486828500000/105461 | context_iri | ef:agent/default_context_mapping | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v4 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v5 |
| ef:activity/change/20260822T0600486828500000/219385 | unit_iri | ef:agent/unit_normalization | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v5 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v6 |
| ef:activity/change/20260822T0600486828500000/225307 | prefLabel | ef:agent/normalize_name_case | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v6 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v7 |
| ef:activity/change/20260822T0600486828500000/244459 | properties | ef:agent/enrich_references | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v7 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v8 |
| ef:activity/change/20260822T0600486828500000/244460 | skos_definition | ef:agent/enrich_references | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v8 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v9 |
| ef:activity/change/20260822T0600486828500000/244461 | references | ef:agent/enrich_references | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v9 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v10 |
| ef:activity/change/20260822T0600486828500000/253297 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v10 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v11 |
| ef:activity/change/20260822T0600486828500000/265878 | altLabel | ef:agent/consensus_match | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v11 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v12 |
| ef:activity/change/20260822T0600486828500000/265879 | cas_match_labels | ef:agent/consensus_match | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v12 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v13 |
| ef:activity/change/20260822T0600486828500000/278507 | properties | ef:agent/opsin_iupac | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v13 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v14 |
| ef:activity/change/20260822T0600486828500000/285274 | properties | ef:agent/rdkit_post_consensus | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v14 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v15 |
| ef:activity/change/20260822T0600486828500000/333728 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v15 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v16 |
| ef:activity/change/20260822T0600486828500000/392874 | properties | ef:agent/normalise_property_values | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v16 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v17 |
| ef:activity/change/20260822T0600486828500000/401549 | types | ef:agent/link_flows_to_their_substance | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v17 | ef:flow/5dda86d6-e7a9-4652-b50c-1eb5bd71f091/v18 |