Diethyl Malonate
Everything that changed this flow. Back to the flow
357fe8f5-4e98-4776-96d5-ff9876281548
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 2 catalogue altLabel value(s): 'NSC 136903' (registry code), 'NSC 8864' (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=diethylmalonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'105-53-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-11e8e5a6a1891af3: {'105-53-3': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['105-53-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_167785']; candidate_pubchem_cids=[6871, 7761, 11742, 226139, 3595298, 6951563]; selected_pubchem_cids=[7761]; 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 |
|---|---|---|---|---|---|
| 1,465 | bootstrap_labels | prefLabel | — | [{"@value":"diethyl malonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 1,466 | bootstrap_labels | name | diethyl malonate | — | Purged legacy name field to enforce prefLabel usage |
| 16,505 | bootstrap_labels | synonyms | ["AB1003122","AC1L1PHO","AC1Q34NR","AC1Q64ZO","AKOS000118957","BB_SC-7073","Carbethoxyacetic ester","Dicarbethoxymethan… | [] | Removed legacy synonyms field in favor of structured labels |
| 72,462 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 72,463 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 213,824 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,427 | normalize_name_case | prefLabel | [{"@value":"diethyl malonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Diethyl Malonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,584 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,585 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,586 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.234D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['105-53-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_167785']; candidate_pubchem_cids=[6871, 7761, 11742, 226139, 3595298, 6951563]; selected_pubchem_cids=[7761]; 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 |
| 248,719 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | rdkit_pre_consensus from 'CCOC(=O)CC(=O)OCC'; added: monoisotopic_mass |
| 254,549 | chebi_altlabels | altLabel | [] | [{"@value":"diethyl propanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,913 | consensus_match | altLabel | [{"@value":"diethyl propanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"diethyl propanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=diethylmalonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=105-53-3; added Common Chemistry CAS names as altLabel: Carbethoxyacetic ester, Dicarbethoxymethane, Diethyl propane-1,3-dioate, Ethyl 3-ethoxy-3-oxopropanoate, Ethyl malonate, Malonate diethyl ester, Malonic acid, diethyl ester, Methanedicarboxylic acid diethyl ester, NSC 136903, NSC 8864, Propanedioic acid, 1,3-diethyl ester, Propanedioic acid, diethyl ester; object_uuid=fo-11e8e5a6a1891af3 |
| 265,914 | consensus_match | cas_match_labels | — | {"105-53-3":"exactMatch"} | group_key=diethylmalonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'105-53-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-11e8e5a6a1891af3: {'105-53-3': 'exactMatch'} |
| 273,841 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diethyl Malonate' |
| 280,232 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | rdkit_post_consensus from 'CCOC(=O)CC(=O)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,547 | strip_catalogue_altlabels | altLabel | [{"@value":"diethyl propanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"diethyl propanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 2 catalogue altLabel value(s): 'NSC 136903' (registry code), 'NSC 8864' (registry code) |
| 317,248 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/357fe8f5-4e98-… | associations resolved on the elementary layer |
| 388,129 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | typed the way the ontology types it |
| 394,740 | 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/20260822T0600486828500000/1465 | prefLabel | ef:agent/bootstrap_labels | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v0 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v1 |
| ef:activity/change/20260822T0600486828500000/1466 | name | ef:agent/bootstrap_labels | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v1 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v2 |
| ef:activity/change/20260822T0600486828500000/16505 | synonyms | ef:agent/bootstrap_labels | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v2 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v3 |
| ef:activity/change/20260822T0600486828500000/72462 | context | ef:agent/default_context_mapping | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v3 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v4 |
| ef:activity/change/20260822T0600486828500000/72463 | context_iri | ef:agent/default_context_mapping | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v4 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v5 |
| ef:activity/change/20260822T0600486828500000/213824 | unit_iri | ef:agent/unit_normalization | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v5 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v6 |
| ef:activity/change/20260822T0600486828500000/221427 | prefLabel | ef:agent/normalize_name_case | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v6 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v7 |
| ef:activity/change/20260822T0600486828500000/228584 | properties | ef:agent/enrich_references | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v7 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v8 |
| ef:activity/change/20260822T0600486828500000/228585 | skos_definition | ef:agent/enrich_references | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v8 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v9 |
| ef:activity/change/20260822T0600486828500000/228586 | references | ef:agent/enrich_references | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v9 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v10 |
| ef:activity/change/20260822T0600486828500000/248719 | properties | ef:agent/rdkit_pre_consensus | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v10 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v11 |
| ef:activity/change/20260822T0600486828500000/254549 | altLabel | ef:agent/chebi_altlabels | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v11 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v12 |
| ef:activity/change/20260822T0600486828500000/265913 | altLabel | ef:agent/consensus_match | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v12 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v13 |
| ef:activity/change/20260822T0600486828500000/265914 | cas_match_labels | ef:agent/consensus_match | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v13 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v14 |
| ef:activity/change/20260822T0600486828500000/273841 | properties | ef:agent/opsin_iupac | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v14 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v15 |
| ef:activity/change/20260822T0600486828500000/280232 | properties | ef:agent/rdkit_post_consensus | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v15 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v16 |
| ef:activity/change/20260822T0600486828500000/287547 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v16 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v17 |
| ef:activity/change/20260822T0600486828500000/317248 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v17 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v18 |
| ef:activity/change/20260822T0600486828500000/388129 | properties | ef:agent/normalise_property_values | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v18 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v19 |
| ef:activity/change/20260822T0600486828500000/394740 | types | ef:agent/link_flows_to_their_substance | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v19 | ef:flow/357fe8f5-4e98-4776-96d5-ff9876281548/v20 |