Butanoic Acid, 2-methyl-, Ethyl Ester
Everything that changed this flow. Back to the flow
ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7
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 1103' (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=butanoicacid,2-methyl-,ethylester||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7452-79-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3997bff3fd7220b1: {'7452-79-1': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7452-79-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88452']; candidate_pubchem_cids=[24020, 7156991, 73409638]; selected_pubchem_cids=[24020]; 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 |
|---|---|---|---|---|---|
| 5,825 | bootstrap_labels | prefLabel | — | [{"@value":"butanoic acid, 2-methyl-, ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 5,826 | bootstrap_labels | name | butanoic acid, 2-methyl-, ethyl ester | — | Purged legacy name field to enforce prefLabel usage |
| 5,827 | bootstrap_labels | synonyms | ["organic","ethyl2-methylbutyrate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 152,280 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 152,281 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 215,284 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,439 | normalize_name_case | prefLabel | [{"@value":"butanoic acid, 2-methyl-, ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | [{"@value":"Butanoic Acid, 2-methyl-, Ethyl Ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,785 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,786 | enrich_references | skos_definition | — | [{"@value":"A fatty acid ethyl ester obtained by the formal condensation of 2-methylbutyric acid with ethanol. It is a… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,787 | enrich_references | references | [] | [{"@id":"foodb.food:FDB011877","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedT… | Added references with provenance; cas_numbers=['7452-79-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_88452']; candidate_pubchem_cids=[24020, 7156991, 73409638]; selected_pubchem_cids=[24020]; 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 |
| 255,112 | chebi_altlabels | altLabel | [] | [{"@value":"2-methylbutanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,564 | consensus_match | altLabel | [{"@value":"2-methylbutanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"2-methylbutanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | group_key=butanoicacid,2-methyl-,ethylester||dimension=Environmental > media=Water > water_body=Long-term; cas=7452-79-1; added Common Chemistry CAS names as altLabel: (±)-Ethyl 2-methylbutanoate, 2-Methylbutyric acid ethyl ester, Ethyl 2-methylbutyrate, Ethyl α-methylbutyrate, NSC 1103; object_uuid=fo-3997bff3fd7220b1 |
| 264,565 | consensus_match | cas_match_labels | — | {"7452-79-1":"exactMatch"} | group_key=butanoicacid,2-methyl-,ethylester||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7452-79-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3997bff3fd7220b1: {'7452-79-1': 'exactMatch'} |
| 275,065 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Butanoic Acid, 2-methyl-, Ethyl Ester' |
| 281,558 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | rdkit_post_consensus from 'CCOC(=O)C(C)CC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,440 | strip_catalogue_altlabels | altLabel | [{"@value":"2-methylbutanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"2-methylbutanoic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | Removed 1 catalogue altLabel value(s): 'NSC 1103' (registry code) |
| 357,163 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ac3ee752-ad6f-… | associations resolved on the elementary layer |
| 389,374 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O2"],… | typed the way the ontology types it |
| 396,493 | 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/20260821T1554374006150000/5825 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v0 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v1 |
| ef:activity/change/20260821T1554374006150000/5826 | name | ef:agent/bootstrap_labels | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v1 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v2 |
| ef:activity/change/20260821T1554374006150000/5827 | synonyms | ef:agent/bootstrap_labels | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v2 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v3 |
| ef:activity/change/20260821T1554374006150000/152280 | context | ef:agent/default_context_mapping | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v3 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v4 |
| ef:activity/change/20260821T1554374006150000/152281 | context_iri | ef:agent/default_context_mapping | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v4 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v5 |
| ef:activity/change/20260821T1554374006150000/215284 | unit_iri | ef:agent/unit_normalization | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v5 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v6 |
| ef:activity/change/20260821T1554374006150000/222439 | prefLabel | ef:agent/normalize_name_case | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v6 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v7 |
| ef:activity/change/20260821T1554374006150000/232785 | properties | ef:agent/enrich_references | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v7 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v8 |
| ef:activity/change/20260821T1554374006150000/232786 | skos_definition | ef:agent/enrich_references | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v8 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v9 |
| ef:activity/change/20260821T1554374006150000/232787 | references | ef:agent/enrich_references | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v9 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v10 |
| ef:activity/change/20260821T1554374006150000/255112 | altLabel | ef:agent/chebi_altlabels | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v10 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v11 |
| ef:activity/change/20260821T1554374006150000/264564 | altLabel | ef:agent/consensus_match | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v11 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v12 |
| ef:activity/change/20260821T1554374006150000/264565 | cas_match_labels | ef:agent/consensus_match | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v12 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v13 |
| ef:activity/change/20260821T1554374006150000/275065 | properties | ef:agent/opsin_iupac | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v13 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v14 |
| ef:activity/change/20260821T1554374006150000/281558 | properties | ef:agent/rdkit_post_consensus | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v14 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v15 |
| ef:activity/change/20260821T1554374006150000/288440 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v15 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v16 |
| ef:activity/change/20260821T1554374006150000/357163 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v16 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v17 |
| ef:activity/change/20260821T1554374006150000/389374 | properties | ef:agent/normalise_property_values | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v17 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v18 |
| ef:activity/change/20260821T1554374006150000/396493 | types | ef:agent/link_flows_to_their_substance | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v18 | ef:flow/ac3ee752-ad6f-48c7-a6c7-b9e17ca548e7/v19 |