Dibutyl Succinate
Everything that changed this flow. Back to the flow
a3f70782-4da7-48d1-a19a-156f3ca72ce5
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 1502' (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=dibutylsuccinate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-03-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ed643a27d401426: {'141-03-7': '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=['141-03-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82263']; candidate_pubchem_cids=[8830, 189699, 22052924]; selected_pubchem_cids=[8830]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,872 | bootstrap_labels | prefLabel | — | [{"@value":"dibutyl succinate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 18,873 | bootstrap_labels | name | dibutyl succinate | — | Purged legacy name field to enforce prefLabel usage |
| 18,874 | bootstrap_labels | synonyms | ["AC1L1RS1","AC1Q2XAV","B-9","Butanedioic acid dibutyl ester","Butanedioic acid, 1,4-dibutyl ester","Butanedioic acid,… | [] | Removed legacy synonyms field in favor of structured labels |
| 147,406 | 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) |
| 147,407 | 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) |
| 219,496 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,386 | normalize_name_case | prefLabel | [{"@value":"dibutyl succinate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Dibutyl Succinate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,764 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,765 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,766 | enrich_references | references | [] | [{"@id":"drugcentral:4415","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['141-03-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82263']; candidate_pubchem_cids=[8830, 189699, 22052924]; selected_pubchem_cids=[8830]; 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 |
| 253,384 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | rdkit_pre_consensus from 'CCCCOC(=O)CCC(=O)OCCCC'; added: monoisotopic_mass |
| 265,750 | consensus_match | altLabel | [] | [{"@value":"Butanedioic acid, 1,4-dibutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=dibutylsuccinate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=141-03-7; added Common Chemistry CAS names as altLabel: Butanedioic acid, 1,4-dibutyl ester, Butanedioic acid, dibutyl ester, Di-<em>n</em>-butyl succinate, NSC 1502, Succinic acid di-<em>n</em>-butyl ester, Succinic acid, dibutyl ester, Tabatrex, Tabutrex; object_uuid=fo-2ed643a27d401426 |
| 265,751 | consensus_match | cas_match_labels | — | {"141-03-7":"exactMatch"} | group_key=dibutylsuccinate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-03-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ed643a27d401426: {'141-03-7': 'exactMatch'} |
| 278,597 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dibutyl Succinate' |
| 285,370 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | rdkit_post_consensus from 'CCCCOC(=O)CCC(=O)OCCCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,048 | strip_catalogue_altlabels | altLabel | [{"@value":"Butanedioic acid, 1,4-dibutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"Butanedioic acid, 1,4-dibutyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | Removed 1 catalogue altLabel value(s): 'NSC 1502' (registry code) |
| 354,725 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a3f70782-4da7-… | associations resolved on the elementary layer |
| 392,961 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H22O4"]… | typed the way the ontology types it |
| 401,687 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260822T0600486828500000/18872 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v0 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v1 |
| ef:activity/change/20260822T0600486828500000/18873 | name | ef:agent/bootstrap_labels | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v1 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v2 |
| ef:activity/change/20260822T0600486828500000/18874 | synonyms | ef:agent/bootstrap_labels | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v2 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v3 |
| ef:activity/change/20260822T0600486828500000/147406 | context | ef:agent/default_context_mapping | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v3 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v4 |
| ef:activity/change/20260822T0600486828500000/147407 | context_iri | ef:agent/default_context_mapping | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v4 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v5 |
| ef:activity/change/20260822T0600486828500000/219496 | unit_iri | ef:agent/unit_normalization | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v5 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v6 |
| ef:activity/change/20260822T0600486828500000/225386 | prefLabel | ef:agent/normalize_name_case | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v6 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v7 |
| ef:activity/change/20260822T0600486828500000/244764 | properties | ef:agent/enrich_references | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v7 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v8 |
| ef:activity/change/20260822T0600486828500000/244765 | skos_definition | ef:agent/enrich_references | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v8 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v9 |
| ef:activity/change/20260822T0600486828500000/244766 | references | ef:agent/enrich_references | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v9 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v10 |
| ef:activity/change/20260822T0600486828500000/253384 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v10 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v11 |
| ef:activity/change/20260822T0600486828500000/265750 | altLabel | ef:agent/consensus_match | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v11 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v12 |
| ef:activity/change/20260822T0600486828500000/265751 | cas_match_labels | ef:agent/consensus_match | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v12 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v13 |
| ef:activity/change/20260822T0600486828500000/278597 | properties | ef:agent/opsin_iupac | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v13 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v14 |
| ef:activity/change/20260822T0600486828500000/285370 | properties | ef:agent/rdkit_post_consensus | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v14 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v15 |
| ef:activity/change/20260822T0600486828500000/291048 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v15 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v16 |
| ef:activity/change/20260822T0600486828500000/354725 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v16 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v17 |
| ef:activity/change/20260822T0600486828500000/392961 | properties | ef:agent/normalise_property_values | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v17 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v18 |
| ef:activity/change/20260822T0600486828500000/401687 | types | ef:agent/link_flows_to_their_substance | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v18 | ef:flow/a3f70782-4da7-48d1-a19a-156f3ca72ce5/v19 |