Diisoamyl ether
Everything that changed this flow. Back to the flow
893eacdd-9975-48cd-9f80-d41dfa81a0cb
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 9281' (registry code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=544-01-4; cc_chebi_agreed_name='Diisoamyl ether'; object_uuid=fo-8f2f2948d8ab0056 |
| cas_match_labels | 1 | consensus_match | group_key=1,1'-oxybis(3-methylbutane)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'544-01-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8f2f2948d8ab0056: {'544-01-4': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['544-01-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_183294']; candidate_pubchem_cids=[10989, 1550701]; selected_pubchem_cids=[10989]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 450 | bootstrap_labels | prefLabel | — | [{"@value":"1,1'-oxybis(3-methylbutane)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 451 | bootstrap_labels | name | 1,1'-oxybis(3-methylbutane) | — | Purged legacy name field to enforce prefLabel usage |
| 452 | bootstrap_labels | synonyms | ["organic","diisopentylether","edia"] | [] | Removed legacy synonyms field in favor of structured labels |
| 131,328 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 131,329 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 213,489 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,599 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,600 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,601 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.409B","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['544-01-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_183294']; candidate_pubchem_cids=[10989, 1550701]; selected_pubchem_cids=[10989]; 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 |
| 248,437 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | rdkit_pre_consensus from 'CC(C)CCOCCC(C)C'; added: monoisotopic_mass |
| 254,442 | chebi_altlabels | altLabel | [] | [{"@value":"3-methyl-1-(3-methylbutoxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,062 | consensus_match | prefLabel | [{"@value":"1,1'-oxybis(3-methylbutane)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | [{"@value":"Diisoamyl ether","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=544-01-4; cc_chebi_agreed_name='Diisoamyl ether'; object_uuid=fo-8f2f2948d8ab0056 |
| 258,063 | consensus_match | altLabel | [{"@value":"3-methyl-1-(3-methylbutoxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"3-methyl-1-(3-methylbutoxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | cas=544-01-4; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-8f2f2948d8ab0056 |
| 258,064 | consensus_match | altLabel | [{"@value":"3-methyl-1-(3-methylbutoxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"3-methyl-1-(3-methylbutoxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | group_key=1,1'-oxybis(3-methylbutane)||dimension=Environmental > media=Ground > geography=Unknown; cas=544-01-4; added Common Chemistry CAS names as altLabel: 1,1′-Oxybis[3-methylbutane], Butane, 1,1′-oxybis[3-methyl-, Di-3-methylbutyl ether, Diisopentyl ether, Isoamyl ether, Isoamyl oxide, Isopentyl ether, NSC 9281; object_uuid=fo-8f2f2948d8ab0056 |
| 258,065 | consensus_match | cas_match_labels | — | {"544-01-4":"exactMatch"} | group_key=1,1'-oxybis(3-methylbutane)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'544-01-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8f2f2948d8ab0056: {'544-01-4': 'exactMatch'} |
| 273,576 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diisoamyl ether' |
| 279,936 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | rdkit_post_consensus from 'CC(C)CCOCCC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,356 | strip_catalogue_altlabels | altLabel | [{"@value":"3-methyl-1-(3-methylbutoxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"3-methyl-1-(3-methylbutoxy)butane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | Removed 1 catalogue altLabel value(s): 'NSC 9281' (registry code) |
| 346,684 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/893eacdd-9975-… | associations resolved on the elementary layer |
| 387,854 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H22O"],… | typed the way the ontology types it |
| 394,365 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260820T0738569779880000/450 | prefLabel | ef:agent/bootstrap_labels | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v0 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v1 |
| ef:activity/change/20260820T0738569779880000/451 | name | ef:agent/bootstrap_labels | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v1 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v2 |
| ef:activity/change/20260820T0738569779880000/452 | synonyms | ef:agent/bootstrap_labels | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v2 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v3 |
| ef:activity/change/20260820T0738569779880000/131328 | context | ef:agent/default_context_mapping | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v3 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v4 |
| ef:activity/change/20260820T0738569779880000/131329 | context_iri | ef:agent/default_context_mapping | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v4 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v5 |
| ef:activity/change/20260820T0738569779880000/213489 | unit_iri | ef:agent/unit_normalization | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v5 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v6 |
| ef:activity/change/20260820T0738569779880000/227599 | properties | ef:agent/enrich_references | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v6 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v7 |
| ef:activity/change/20260820T0738569779880000/227600 | skos_definition | ef:agent/enrich_references | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v7 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v8 |
| ef:activity/change/20260820T0738569779880000/227601 | references | ef:agent/enrich_references | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v8 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v9 |
| ef:activity/change/20260820T0738569779880000/248437 | properties | ef:agent/rdkit_pre_consensus | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v9 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v10 |
| ef:activity/change/20260820T0738569779880000/254442 | altLabel | ef:agent/chebi_altlabels | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v10 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v11 |
| ef:activity/change/20260820T0738569779880000/258062 | prefLabel | ef:agent/consensus_match | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v11 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v12 |
| ef:activity/change/20260820T0738569779880000/258063 | altLabel | ef:agent/consensus_match | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v12 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v13 |
| ef:activity/change/20260820T0738569779880000/258064 | altLabel | ef:agent/consensus_match | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v13 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v14 |
| ef:activity/change/20260820T0738569779880000/258065 | cas_match_labels | ef:agent/consensus_match | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v14 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v15 |
| ef:activity/change/20260820T0738569779880000/273576 | properties | ef:agent/opsin_iupac | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v15 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v16 |
| ef:activity/change/20260820T0738569779880000/279936 | properties | ef:agent/rdkit_post_consensus | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v16 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v17 |
| ef:activity/change/20260820T0738569779880000/287356 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v17 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v18 |
| ef:activity/change/20260820T0738569779880000/346684 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v18 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v19 |
| ef:activity/change/20260820T0738569779880000/387854 | properties | ef:agent/normalise_property_values | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v19 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v20 |
| ef:activity/change/20260820T0738569779880000/394365 | types | ef:agent/link_flows_to_their_substance | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v20 | ef:flow/893eacdd-9975-48cd-9f80-d41dfa81a0cb/v21 |