Diethyl Fumarate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-8af5fc0cccf65369
Changes
58| # | 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 |
| 24,646 | bootstrap_labels | synonyms | ["diethylfumarate","1,4-diethyl(2e)-but-2-enedioate","2-butenedioicacid(2e)-,diethylester","diethyl(e)-but-2-enedioate"… | [] | Removed legacy synonyms field in favor of structured labels |
| 66,894 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 66,895 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 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) |
| 77,454 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 77,455 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 85,914 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 85,915 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 97,262 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 97,263 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 101,998 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 101,999 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 115,472 | 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 |
| 115,473 | 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 |
| 135,832 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 135,833 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 137,546 | 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) |
| 137,547 | 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) |
| 147,856 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 147,857 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 149,980 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 149,981 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 153,350 | 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 |
| 153,351 | 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 |
| 198,314 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 198,315 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 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) |
| 314,464 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2d3bfc40-e6b3-… | associations resolved on the elementary layer |
| 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 |
| 319,741 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3e055a6d-b802-… | associations resolved on the elementary layer |
| 323,972 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4b4d96a4-63a5-… | associations resolved on the elementary layer |
| 329,628 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4f9c23ee-0c52-… | associations resolved on the elementary layer |
| 331,996 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/57dcb029-20d0-… | associations resolved on the elementary layer |
| 338,735 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6e460932-01bf-… | associations resolved on the elementary layer |
| 348,912 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/90d828f0-c103-… | associations resolved on the elementary layer |