Diethyl Ether
Everything that changed this flow. Back to the flow
13ad90ea-745e-4959-9fea-73c62d5054d2
By field
12 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 100036' (registry code), 'R 610' (grade 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=diethylether||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'60-29-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9d058364f43d4461: {'60-29-7': '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 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=['60-29-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_35702']; candidate_pubchem_cids=[3283]; selected_pubchem_cids=[3283]; 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 |
| 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 |
|---|---|---|---|---|---|
| 8,777 | bootstrap_labels | prefLabel | — | [{"@value":"diethyl ether","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 8,778 | bootstrap_labels | name | diethyl ether | — | Purged legacy name field to enforce prefLabel usage |
| 48,972 | 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 |
| 48,973 | 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 |
| 216,260 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,160 | normalize_name_case | prefLabel | [{"@value":"diethyl ether","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Diethyl Ether","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,575 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,576 | enrich_references | skos_definition | — | [{"@value":"An ether in which the oxygen atom is linked to two ethyl groups.","@language":"en","provenance":{"prov:wasG… | Merged ChEBI/PubChem definitions into skos:definition |
| 235,577 | enrich_references | references | [] | [{"@id":"drugcentral:4417","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['60-29-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_35702']; candidate_pubchem_cids=[3283]; selected_pubchem_cids=[3283]; 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 |
| 250,733 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O"],"… | rdkit_pre_consensus from 'CCOCC'; added: monoisotopic_mass |
| 255,622 | chebi_altlabels | altLabel | [] | [{"@value":"1,1'-oxybisethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Added 15 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,899 | consensus_match | altLabel | [{"@value":"1,1'-oxybisethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"1,1'-oxybisethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | group_key=diethylether||dimension=Environmental > media=Ground > geography=Agricultural; cas=60-29-7; added Common Chemistry CAS names as altLabel: 1,1′-Oxybis[ethane], Anaesthetic ether, Anesthesia ether, Ethane, 1,1′-oxybis-, MeSH ID: D004986, NSC 100036, R 610, Sulfuric ether; object_uuid=fo-9d058364f43d4461 |
| 265,900 | consensus_match | cas_match_labels | — | {"60-29-7":"exactMatch"} | group_key=diethylether||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'60-29-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9d058364f43d4461: {'60-29-7': 'exactMatch'} |
| 275,901 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diethyl Ether' |
| 282,469 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O"],"… | rdkit_post_consensus from 'CCOCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,081 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1'-oxybisethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"1,1'-oxybisethane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Removed 2 catalogue altLabel value(s): 'NSC 100036' (registry code), 'R 610' (grade code) |
| 305,513 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/13ad90ea-745e-… | associations resolved on the elementary layer |
| 390,248 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10O"],"… | typed the way the ontology types it |
| 397,777 | 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/20260822T0600486828500000/8777 | prefLabel | ef:agent/bootstrap_labels | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v0 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v1 |
| ef:activity/change/20260822T0600486828500000/8778 | name | ef:agent/bootstrap_labels | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v1 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v2 |
| ef:activity/change/20260822T0600486828500000/48972 | context | ef:agent/default_context_mapping | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v2 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v3 |
| ef:activity/change/20260822T0600486828500000/48973 | context_iri | ef:agent/default_context_mapping | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v3 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v4 |
| ef:activity/change/20260822T0600486828500000/216260 | unit_iri | ef:agent/unit_normalization | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v4 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v5 |
| ef:activity/change/20260822T0600486828500000/223160 | prefLabel | ef:agent/normalize_name_case | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v5 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v6 |
| ef:activity/change/20260822T0600486828500000/235575 | properties | ef:agent/enrich_references | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v6 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v7 |
| ef:activity/change/20260822T0600486828500000/235576 | skos_definition | ef:agent/enrich_references | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v7 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v8 |
| ef:activity/change/20260822T0600486828500000/235577 | references | ef:agent/enrich_references | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v8 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v9 |
| ef:activity/change/20260822T0600486828500000/250733 | properties | ef:agent/rdkit_pre_consensus | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v9 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v10 |
| ef:activity/change/20260822T0600486828500000/255622 | altLabel | ef:agent/chebi_altlabels | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v10 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v11 |
| ef:activity/change/20260822T0600486828500000/265899 | altLabel | ef:agent/consensus_match | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v11 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v12 |
| ef:activity/change/20260822T0600486828500000/265900 | cas_match_labels | ef:agent/consensus_match | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v12 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v13 |
| ef:activity/change/20260822T0600486828500000/275901 | properties | ef:agent/opsin_iupac | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v13 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v14 |
| ef:activity/change/20260822T0600486828500000/282469 | properties | ef:agent/rdkit_post_consensus | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v14 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v15 |
| ef:activity/change/20260822T0600486828500000/289081 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v15 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v16 |
| ef:activity/change/20260822T0600486828500000/305513 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v16 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v17 |
| ef:activity/change/20260822T0600486828500000/390248 | properties | ef:agent/normalise_property_values | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v17 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v18 |
| ef:activity/change/20260822T0600486828500000/397777 | types | ef:agent/link_flows_to_their_substance | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v18 | ef:flow/13ad90ea-745e-4959-9fea-73c62d5054d2/v19 |