Ethyl Butyrate
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-9373-0050c2490048
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 8857' (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=ethylbutyrate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'105-54-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e7ab69711c0758ee: {'105-54-4': '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 air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['105-54-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88764']; candidate_pubchem_cids=[7180, 7762, 6950112]; selected_pubchem_cids=[7762]; 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 |
|---|---|---|---|---|---|
| 7,310 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl butyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 7,311 | bootstrap_labels | name | ethyl butyrate | — | Purged legacy name field to enforce prefLabel usage |
| 7,312 | bootstrap_labels | synonyms | ["AC1L1PHR","AC1Q2UI5","B0759","Butanoic acid ethyl ester","Butanoic acid, ethyl ester","Butyric acid ethyl ester","But… | [] | Removed legacy synonyms field in favor of structured labels |
| 33,758 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 33,759 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 215,779 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,781 | normalize_name_case | prefLabel | [{"@value":"ethyl butyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Ethyl Butyrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 234,188 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 234,189 | enrich_references | skos_definition | — | [{"@value":"A butyrate ester resulting from the formal condensation of the hydroxy group of ethanol with the carboxy gr… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,190 | enrich_references | references | [] | [{"@id":"agr:IND20363758","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['105-54-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88764']; candidate_pubchem_cids=[7180, 7762, 6950112]; selected_pubchem_cids=[7762]; 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 |
| 255,328 | chebi_altlabels | altLabel | [] | [{"@value":"Butanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,879 | consensus_match | altLabel | [{"@value":"Butanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"Butanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | group_key=ethylbutyrate||dimension=Environmental > media=Air > strata=Unknown; cas=105-54-4; added Common Chemistry CAS names as altLabel: Butanoic acid, ethyl ester, Butyric acid, ester with EtOH, Butyric acid, ethyl ester, NSC 8857; object_uuid=fo-e7ab69711c0758ee |
| 266,880 | consensus_match | cas_match_labels | — | {"105-54-4":"exactMatch"} | group_key=ethylbutyrate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'105-54-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e7ab69711c0758ee: {'105-54-4': 'exactMatch'} |
| 275,489 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethyl Butyrate' |
| 282,009 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | rdkit_post_consensus from 'CCCC(=O)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,759 | strip_catalogue_altlabels | altLabel | [{"@value":"Butanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"Butanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Removed 1 catalogue altLabel value(s): 'NSC 8857' (registry code) |
| 297,913 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 389,801 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | typed the way the ontology types it |
| 397,119 | 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/20260822T0600486828500000/7310 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/7311 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/7312 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/33758 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/33759 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/215779 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/222781 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/234188 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/234189 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/234190 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/255328 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/266879 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/266880 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/275489 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/282009 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/288759 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/297913 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/389801 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/397119 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-9373-0050c2490048/v19 |