Diethyl Adipate
Everything that changed this flow. Back to the flow
3485c8c2-4a09-4450-a79a-4e3ed7fa6097
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 19160' (registry code), 'NSC 3363' (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=diethyladipate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-28-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f9720438d71fc613: {'141-28-6': '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 air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['141-28-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34697']; candidate_pubchem_cids=[5416, 8844, 12201]; selected_pubchem_cids=[8844]; 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 |
|---|---|---|---|---|---|
| 11,018 | bootstrap_labels | prefLabel | — | [{"@value":"diethyl adipate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 11,019 | bootstrap_labels | name | diethyl adipate | — | Purged legacy name field to enforce prefLabel usage |
| 21,021 | bootstrap_labels | synonyms | ["diethyladipate","1,6-diethylhexanedioate","diethylhexanedioate","(C18-C28) Alcohol ester of adipic acid","(C8-C26) Al… | [] | Removed legacy synonyms field in favor of structured labels |
| 71,859 | 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 |
| 71,860 | 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 |
| 216,996 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,669 | normalize_name_case | prefLabel | [{"@value":"diethyl adipate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Diethyl Adipate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,672 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,673 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,674 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.805J","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['141-28-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34697']; candidate_pubchem_cids=[5416, 8844, 12201]; selected_pubchem_cids=[8844]; 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 |
| 251,335 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | rdkit_pre_consensus from 'CCOC(=O)CCCCC(=O)OCC'; added: monoisotopic_mass |
| 255,935 | chebi_altlabels | altLabel | [] | [{"@value":"Diethyl hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,890 | consensus_match | altLabel | [{"@value":"Diethyl hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"Diethyl hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=diethyladipate||dimension=Environmental > media=Water > water_body=Surface water; cas=141-28-6; added Common Chemistry CAS names as altLabel: 1,6-Diethyl hexanedioate, Adipic acid, diethyl ester, Crodamol SE-LQ-(JP), Ethyl adipate, Ethyl δ-carboethoxyvalerate, Hexanedioic acid, 1,6-diethyl ester, Hexanedioic acid, diethyl ester, NSC 19160, NSC 3363; object_uuid=fo-f9720438d71fc613 |
| 265,891 | consensus_match | cas_match_labels | — | {"141-28-6":"exactMatch"} | group_key=diethyladipate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-28-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f9720438d71fc613: {'141-28-6': 'exactMatch'} |
| 276,518 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diethyl Adipate' |
| 283,130 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | rdkit_post_consensus from 'CCOC(=O)CCCCC(=O)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,559 | strip_catalogue_altlabels | altLabel | [{"@value":"Diethyl hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"Diethyl hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Removed 2 catalogue altLabel value(s): 'NSC 19160' (registry code), 'NSC 3363' (registry code) |
| 316,986 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3485c8c2-4a09-… | associations resolved on the elementary layer |
| 390,900 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H18O4"]… | typed the way the ontology types it |
| 398,694 | 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/20261019T0712047113160000/11018 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v0 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v1 |
| ef:activity/change/20261019T0712047113160000/11019 | name | ef:agent/bootstrap_labels | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v1 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v2 |
| ef:activity/change/20261019T0712047113160000/21021 | synonyms | ef:agent/bootstrap_labels | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v2 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v3 |
| ef:activity/change/20261019T0712047113160000/71859 | context | ef:agent/default_context_mapping | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v3 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v4 |
| ef:activity/change/20261019T0712047113160000/71860 | context_iri | ef:agent/default_context_mapping | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v4 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v5 |
| ef:activity/change/20261019T0712047113160000/216996 | unit_iri | ef:agent/unit_normalization | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v5 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v6 |
| ef:activity/change/20261019T0712047113160000/223669 | prefLabel | ef:agent/normalize_name_case | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v6 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v7 |
| ef:activity/change/20261019T0712047113160000/237672 | properties | ef:agent/enrich_references | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v7 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v8 |
| ef:activity/change/20261019T0712047113160000/237673 | skos_definition | ef:agent/enrich_references | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v8 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v9 |
| ef:activity/change/20261019T0712047113160000/237674 | references | ef:agent/enrich_references | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v9 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v10 |
| ef:activity/change/20261019T0712047113160000/251335 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v10 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v11 |
| ef:activity/change/20261019T0712047113160000/255935 | altLabel | ef:agent/chebi_altlabels | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v11 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v12 |
| ef:activity/change/20261019T0712047113160000/265890 | altLabel | ef:agent/consensus_match | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v12 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v13 |
| ef:activity/change/20261019T0712047113160000/265891 | cas_match_labels | ef:agent/consensus_match | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v13 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v14 |
| ef:activity/change/20261019T0712047113160000/276518 | properties | ef:agent/opsin_iupac | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v14 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v15 |
| ef:activity/change/20261019T0712047113160000/283130 | properties | ef:agent/rdkit_post_consensus | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v15 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v16 |
| ef:activity/change/20261019T0712047113160000/289559 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v16 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v17 |
| ef:activity/change/20261019T0712047113160000/316986 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v17 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v18 |
| ef:activity/change/20261019T0712047113160000/390900 | properties | ef:agent/normalise_property_values | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v18 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v19 |
| ef:activity/change/20261019T0712047113160000/398694 | types | ef:agent/link_flows_to_their_substance | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v19 | ef:flow/3485c8c2-4a09-4450-a79a-4e3ed7fa6097/v20 |