Dibutyl Fumarate
Everything that changed this flow. Back to the flow
0813b067-8b25-4b74-89f2-9fb96939f333
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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 140' (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=dibutylfumarate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'105-75-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-75e0777b9d9cf949: {'105-75-9': '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=['105-75-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[7774, 5271569, 5271570]; selected_pubchem_cids=[5271570]; 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 |
|---|---|---|---|---|---|
| 2,993 | bootstrap_labels | prefLabel | — | [{"@value":"dibutyl fumarate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 2,994 | bootstrap_labels | name | dibutyl fumarate | — | Purged legacy name field to enforce prefLabel usage |
| 2,995 | bootstrap_labels | synonyms | ["2-Butenedioic acid (2E)-, 1,4-dibutyl ester","2-Butenedioic acid (2E)-, dibutyl ester","2-Butenedioic acid (E)-, dibu… | [] | Removed legacy synonyms field in favor of structured labels |
| 31,532 | 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) |
| 31,533 | 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) |
| 214,338 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,774 | normalize_name_case | prefLabel | [{"@value":"dibutyl fumarate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Dibutyl 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) |
| 230,054 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20O4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,055 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,056 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.522J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['105-75-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[7774, 5271569, 5271570]; selected_pubchem_cids=[5271570]; 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 |
| 249,146 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20O4"]… | rdkit_pre_consensus from 'CCCCOC(=O)/C=C/C(=O)OCCCC'; added: molecular_mass, monoisotopic_mass |
| 265,740 | consensus_match | altLabel | [] | [{"@value":"2-Butenedioic acid (2<em>E</em>)-, 1,4-dibutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"con… | group_key=dibutylfumarate||dimension=Environmental > media=Water > water_body=Surface water; cas=105-75-9; added Common Chemistry CAS names as altLabel: 2-Butenedioic acid (2<em>E</em>)-, 1,4-dibutyl ester, 2-Butenedioic acid (2<em>E</em>)-, dibutyl ester, 2-Butenedioic acid (<em>E</em>)-, dibutyl ester, Butyl fumarate, Fumaric acid di-<em>n</em>-butyl ester, Fumaric acid, dibutyl ester, NSC 140, RC Comonomer DBF, Staflex DBF; object_uuid=fo-75e0777b9d9cf949 |
| 265,741 | consensus_match | cas_match_labels | — | {"105-75-9":"exactMatch"} | group_key=dibutylfumarate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'105-75-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-75e0777b9d9cf949: {'105-75-9': 'exactMatch'} |
| 274,262 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dibutyl Fumarate' |
| 280,691 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20O4"]… | rdkit_post_consensus from 'CCCCOC(=O)/C=C/C(=O)OCCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,841 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Butenedioic acid (2<em>E</em>)-, 1,4-dibutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"con… | [{"@value":"2-Butenedioic acid (2E)-, 1,4-dibutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | Removed 1 catalogue altLabel value(s): 'NSC 140' (registry code) |
| 296,805 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0813b067-8b25-… | associations resolved on the elementary layer |
| 388,558 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20O4"]… | typed the way the ontology types it |
| 395,347 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 395,348 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H20O4"]… | 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/20260822T0600486828500000/2993 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v0 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v1 |
| ef:activity/change/20260822T0600486828500000/2994 | name | ef:agent/bootstrap_labels | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v1 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v2 |
| ef:activity/change/20260822T0600486828500000/2995 | synonyms | ef:agent/bootstrap_labels | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v2 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v3 |
| ef:activity/change/20260822T0600486828500000/31532 | context | ef:agent/default_context_mapping | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v3 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v4 |
| ef:activity/change/20260822T0600486828500000/31533 | context_iri | ef:agent/default_context_mapping | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v4 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v5 |
| ef:activity/change/20260822T0600486828500000/214338 | unit_iri | ef:agent/unit_normalization | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v5 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v6 |
| ef:activity/change/20260822T0600486828500000/221774 | prefLabel | ef:agent/normalize_name_case | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v6 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v7 |
| ef:activity/change/20260822T0600486828500000/230054 | properties | ef:agent/enrich_references | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v7 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v8 |
| ef:activity/change/20260822T0600486828500000/230055 | skos_definition | ef:agent/enrich_references | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v8 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v9 |
| ef:activity/change/20260822T0600486828500000/230056 | references | ef:agent/enrich_references | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v9 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v10 |
| ef:activity/change/20260822T0600486828500000/249146 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v10 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v11 |
| ef:activity/change/20260822T0600486828500000/265740 | altLabel | ef:agent/consensus_match | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v11 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v12 |
| ef:activity/change/20260822T0600486828500000/265741 | cas_match_labels | ef:agent/consensus_match | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v12 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v13 |
| ef:activity/change/20260822T0600486828500000/274262 | properties | ef:agent/opsin_iupac | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v13 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v14 |
| ef:activity/change/20260822T0600486828500000/280691 | properties | ef:agent/rdkit_post_consensus | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v14 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v15 |
| ef:activity/change/20260822T0600486828500000/287841 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v15 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v16 |
| ef:activity/change/20260822T0600486828500000/296805 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v16 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v17 |
| ef:activity/change/20260822T0600486828500000/388558 | properties | ef:agent/normalise_property_values | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v17 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v18 |
| ef:activity/change/20260822T0600486828500000/395347 | types | ef:agent/link_flows_to_their_substance | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v18 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v19 |
| ef:activity/change/20260822T0600486828500000/395348 | properties | ef:agent/link_flows_to_their_substance | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v19 | ef:flow/0813b067-8b25-4b74-89f2-9fb96939f333/v20 |