Diethyl Fumarate
Everything that changed this flow. Back to the flow
38247dfb-b5be-4478-adbe-fbfb0818b17b
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 20954' (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=diethylfumarate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'623-91-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8af5fc0cccf65369: {'623-91-6': '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 (long-term) |
| 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 (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['623-91-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_87388']; candidate_pubchem_cids=[12201, 638144, 5271566]; selected_pubchem_cids=[638144]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 20,280 | bootstrap_labels | prefLabel | — | [{"@value":"diethyl fumarate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 20,281 | bootstrap_labels | name | diethyl fumarate | — | Purged legacy name field to enforce prefLabel usage |
| 20,282 | bootstrap_labels | synonyms | ["2-Butenedioic acid (2E)-, 1,4-diethyl ester","2-Butenedioic acid (2E)-, diethyl ester","2-Butenedioic acid (E)-, diet… | [] | Removed legacy synonyms field in favor of structured labels |
| 73,960 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 73,961 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 219,911 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,689 | normalize_name_case | prefLabel | [{"@value":"diethyl fumarate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Diethyl Fumarate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,931 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O4"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 245,932 | enrich_references | skos_definition | — | [{"@value":"A dieter obtained by the formal condensation of fumaric acid with ethanol.","@language":"en","provenance":{… | Merged ChEBI/PubChem definitions into skos:definition |
| 245,933 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.455H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['623-91-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_87388']; candidate_pubchem_cids=[12201, 638144, 5271566]; selected_pubchem_cids=[638144]; 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 |
| 253,721 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O4"],… | rdkit_pre_consensus from 'CCOC(=O)/C=C/C(=O)OCC'; added: monoisotopic_mass |
| 256,989 | chebi_altlabels | altLabel | [] | [{"@value":"diethyl (2E)-but-2-enedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,905 | consensus_match | altLabel | [{"@value":"diethyl (2E)-but-2-enedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"diethyl (2E)-but-2-enedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | group_key=diethylfumarate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=623-91-6; added Common Chemistry CAS names as altLabel: (2<em>E</em>)-2-Butenedioic acid diethyl ester, (<em>E</em>)-But-2-enedioic acid diethyl ester, 2-Butenedioic acid (2<em>E</em>)-, 1,4-diethyl ester, 2-Butenedioic acid (2<em>E</em>)-, diethyl ester, 2-Butenedioic acid (<em>E</em>)-, diethyl ester, Diethyl (E)-but-2-enedioate, Diethyl fumaric acid ester, Ethyl fumarate, Fumaric acid, diethyl ester, NSC 20954; object_uuid=fo-8af5fc0cccf65369 |
| 265,906 | consensus_match | cas_match_labels | — | {"623-91-6":"exactMatch"} | group_key=diethylfumarate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'623-91-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8af5fc0cccf65369: {'623-91-6': 'exactMatch'} |
| 278,933 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diethyl Fumarate' |
| 285,743 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O4"],… | rdkit_post_consensus from 'CCOC(=O)/C=C/C(=O)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,292 | strip_catalogue_altlabels | altLabel | [{"@value":"diethyl (2E)-but-2-enedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | [{"@value":"diethyl (2E)-but-2-enedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasA… | Removed 1 catalogue altLabel value(s): 'NSC 20954' (registry code) |
| 317,996 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/38247dfb-b5be-… | associations resolved on the elementary layer |
| 393,310 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O4"],… | typed the way the ontology types it |
| 402,206 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 402,207 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O4"],… | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260822T0600486828500000/20280 | prefLabel | ef:agent/bootstrap_labels | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v0 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v1 |
| ef:activity/change/20260822T0600486828500000/20281 | name | ef:agent/bootstrap_labels | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v1 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v2 |
| ef:activity/change/20260822T0600486828500000/20282 | synonyms | ef:agent/bootstrap_labels | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v2 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v3 |
| ef:activity/change/20260822T0600486828500000/73960 | context | ef:agent/default_context_mapping | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v3 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v4 |
| ef:activity/change/20260822T0600486828500000/73961 | context_iri | ef:agent/default_context_mapping | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v4 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v5 |
| ef:activity/change/20260822T0600486828500000/219911 | unit_iri | ef:agent/unit_normalization | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v5 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v6 |
| ef:activity/change/20260822T0600486828500000/225689 | prefLabel | ef:agent/normalize_name_case | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v6 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v7 |
| ef:activity/change/20260822T0600486828500000/245931 | properties | ef:agent/enrich_references | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v7 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v8 |
| ef:activity/change/20260822T0600486828500000/245932 | skos_definition | ef:agent/enrich_references | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v8 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v9 |
| ef:activity/change/20260822T0600486828500000/245933 | references | ef:agent/enrich_references | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v9 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v10 |
| ef:activity/change/20260822T0600486828500000/253721 | properties | ef:agent/rdkit_pre_consensus | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v10 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v11 |
| ef:activity/change/20260822T0600486828500000/256989 | altLabel | ef:agent/chebi_altlabels | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v11 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v12 |
| ef:activity/change/20260822T0600486828500000/265905 | altLabel | ef:agent/consensus_match | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v12 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v13 |
| ef:activity/change/20260822T0600486828500000/265906 | cas_match_labels | ef:agent/consensus_match | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v13 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v14 |
| ef:activity/change/20260822T0600486828500000/278933 | properties | ef:agent/opsin_iupac | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v14 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v15 |
| ef:activity/change/20260822T0600486828500000/285743 | properties | ef:agent/rdkit_post_consensus | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v15 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v16 |
| ef:activity/change/20260822T0600486828500000/291292 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v16 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v17 |
| ef:activity/change/20260822T0600486828500000/317996 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v17 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v18 |
| ef:activity/change/20260822T0600486828500000/393310 | properties | ef:agent/normalise_property_values | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v18 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v19 |
| ef:activity/change/20260822T0600486828500000/402206 | types | ef:agent/link_flows_to_their_substance | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v19 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v20 |
| ef:activity/change/20260822T0600486828500000/402207 | properties | ef:agent/link_flows_to_their_substance | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v20 | ef:flow/38247dfb-b5be-4478-adbe-fbfb0818b17b/v21 |