Diethyl Oxalate
Everything that changed this flow. Back to the flow
fe4ed6d5-3be3-4d88-a28b-ac0b18fed824
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 8851' (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=diethyloxalate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'95-92-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-12dc6e94058256b8: {'95-92-1': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['95-92-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[7268, 242960]; selected_pubchem_cids=[7268]; 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 |
|---|---|---|---|---|---|
| 11,978 | bootstrap_labels | prefLabel | — | [{"@value":"diethyl oxalate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 11,979 | bootstrap_labels | name | diethyl oxalate | — | Purged legacy name field to enforce prefLabel usage |
| 22,412 | bootstrap_labels | synonyms | ["diethyloxalate","oxalicaciddiethylester","diethyl oxalate","ethanedioic acid, 1,2-diethyl ester","ethyl oxalate","eth… | [] | Removed legacy synonyms field in favor of structured labels |
| 212,336 | 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 |
| 212,337 | 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 |
| 217,314 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,876 | normalize_name_case | prefLabel | [{"@value":"diethyl oxalate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Diethyl Oxalate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,578 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,579 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,580 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.379I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['95-92-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[7268, 242960]; selected_pubchem_cids=[7268]; 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 |
| 251,598 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | rdkit_pre_consensus from 'CCOC(=O)C(=O)OCC'; added: molecular_mass, monoisotopic_mass |
| 265,932 | consensus_match | altLabel | [] | [{"@value":"Diethyl ethanedioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | group_key=diethyloxalate||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=95-92-1; added Common Chemistry CAS names as altLabel: Diethyl ethanedioate, Ethanedioic acid, 1,2-diethyl ester, Ethanedioic acid, diethyl ester, Ethyl oxalate, NSC 8851, Oxalic acid, diethyl ester; object_uuid=fo-12dc6e94058256b8 |
| 265,933 | consensus_match | cas_match_labels | — | {"95-92-1":"exactMatch"} | group_key=diethyloxalate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'95-92-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-12dc6e94058256b8: {'95-92-1': 'exactMatch'} |
| 276,794 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diethyl Oxalate' |
| 283,429 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | rdkit_post_consensus from 'CCOC(=O)C(=O)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,740 | strip_catalogue_altlabels | altLabel | [{"@value":"Diethyl ethanedioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | [{"@value":"Diethyl ethanedioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | Removed 1 catalogue altLabel value(s): 'NSC 8851' (registry code) |
| 387,231 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe4ed6d5-3be3-… | associations resolved on the elementary layer |
| 391,149 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O4"],… | typed the way the ontology types it |
| 399,054 | 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/20260820T0738569779880000/11978 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v0 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v1 |
| ef:activity/change/20260820T0738569779880000/11979 | name | ef:agent/bootstrap_labels | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v1 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v2 |
| ef:activity/change/20260820T0738569779880000/22412 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v2 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v3 |
| ef:activity/change/20260820T0738569779880000/212336 | context | ef:agent/default_context_mapping | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v3 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v4 |
| ef:activity/change/20260820T0738569779880000/212337 | context_iri | ef:agent/default_context_mapping | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v4 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v5 |
| ef:activity/change/20260820T0738569779880000/217314 | unit_iri | ef:agent/unit_normalization | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v5 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v6 |
| ef:activity/change/20260820T0738569779880000/223876 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v6 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v7 |
| ef:activity/change/20260820T0738569779880000/238578 | properties | ef:agent/enrich_references | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v7 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v8 |
| ef:activity/change/20260820T0738569779880000/238579 | skos_definition | ef:agent/enrich_references | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v8 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v9 |
| ef:activity/change/20260820T0738569779880000/238580 | references | ef:agent/enrich_references | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v9 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v10 |
| ef:activity/change/20260820T0738569779880000/251598 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v10 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v11 |
| ef:activity/change/20260820T0738569779880000/265932 | altLabel | ef:agent/consensus_match | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v11 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v12 |
| ef:activity/change/20260820T0738569779880000/265933 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v12 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v13 |
| ef:activity/change/20260820T0738569779880000/276794 | properties | ef:agent/opsin_iupac | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v13 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v14 |
| ef:activity/change/20260820T0738569779880000/283429 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v14 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v15 |
| ef:activity/change/20260820T0738569779880000/289740 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v15 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v16 |
| ef:activity/change/20260820T0738569779880000/387231 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v16 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v17 |
| ef:activity/change/20260820T0738569779880000/391149 | properties | ef:agent/normalise_property_values | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v17 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v18 |
| ef:activity/change/20260820T0738569779880000/399054 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v18 | ef:flow/fe4ed6d5-3be3-4d88-a28b-ac0b18fed824/v19 |