Ethyl Acetoacetate
Everything that changed this flow. Back to the flow
a7382204-faba-4a00-8d73-9206fd31c3fc
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 37390' (registry code), 'NSC 8657' (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=ethylacetoacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-97-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7e288677e7e1ca2c: {'141-97-9': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['141-97-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_4893']; candidate_pubchem_cids=[8868, 283611, 21924280, 170923257]; selected_pubchem_cids=[8868]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,828 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl acetoacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 4,829 | bootstrap_labels | name | ethyl acetoacetate | — | Purged legacy name field to enforce prefLabel usage |
| 4,830 | bootstrap_labels | synonyms | ["1-Ethoxybutane-1,3-dione","3-Oxo-butyric acid ethyl ester","3-Oxobutyric Acid Ethyl Ester","3-oxobutanoic acid ethyl… | [] | Removed legacy synonyms field in favor of structured labels |
| 149,208 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 149,209 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 214,952 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,206 | normalize_name_case | prefLabel | [{"@value":"ethyl acetoacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Ethyl Acetoacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,821 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,822 | enrich_references | skos_definition | — | [{"@value":"An ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol… | Merged ChEBI/PubChem definitions into skos:definition |
| 231,823 | enrich_references | references | [] | [{"@id":"foodb.food:FDB003241","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedT… | Added references with provenance; cas_numbers=['141-97-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_4893']; candidate_pubchem_cids=[8868, 283611, 21924280, 170923257]; selected_pubchem_cids=[8868]; 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 |
| 249,649 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | rdkit_pre_consensus from 'CCOC(=O)CC(=O)C'; added: monoisotopic_mass |
| 254,990 | chebi_altlabels | altLabel | [] | [{"@value":"1-ethoxybutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 14 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,865 | consensus_match | altLabel | [{"@value":"1-ethoxybutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"1-ethoxybutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=ethylacetoacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=141-97-9; added Common Chemistry CAS names as altLabel: Acetoacetic acid, ethyl ester, Acetylacetic acid ethyl ester, Butanoic acid, 3-oxo-, ethyl ester, EAA, Ethyl 2-acetoacetate, Ethyl 2-methyl-3-oxopropionate, Ethyl 3-ketobutyrate, Ethyl acetonecarboxylate, NSC 37390, NSC 8657; object_uuid=fo-7e288677e7e1ca2c |
| 266,866 | consensus_match | cas_match_labels | — | {"141-97-9":"exactMatch"} | group_key=ethylacetoacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'141-97-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7e288677e7e1ca2c: {'141-97-9': 'exactMatch'} |
| 274,782 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethyl Acetoacetate' |
| 281,252 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | rdkit_post_consensus from 'CCOC(=O)CC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,247 | strip_catalogue_altlabels | altLabel | [{"@value":"1-ethoxybutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"1-ethoxybutane-1,3-dione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Removed 2 catalogue altLabel value(s): 'NSC 37390' (registry code), 'NSC 8657' (registry code) |
| 355,626 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a7382204-faba-… | associations resolved on the elementary layer |
| 389,092 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10O3"],… | typed the way the ontology types it |
| 396,101 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/4828 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v0 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v1 |
| ef:activity/change/20260822T0600486828500000/4829 | name | ef:agent/bootstrap_labels | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v1 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v2 |
| ef:activity/change/20260822T0600486828500000/4830 | synonyms | ef:agent/bootstrap_labels | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v2 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v3 |
| ef:activity/change/20260822T0600486828500000/149208 | context | ef:agent/default_context_mapping | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v3 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v4 |
| ef:activity/change/20260822T0600486828500000/149209 | context_iri | ef:agent/default_context_mapping | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v4 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v5 |
| ef:activity/change/20260822T0600486828500000/214952 | unit_iri | ef:agent/unit_normalization | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v5 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v6 |
| ef:activity/change/20260822T0600486828500000/222206 | prefLabel | ef:agent/normalize_name_case | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v6 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v7 |
| ef:activity/change/20260822T0600486828500000/231821 | properties | ef:agent/enrich_references | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v7 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v8 |
| ef:activity/change/20260822T0600486828500000/231822 | skos_definition | ef:agent/enrich_references | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v8 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v9 |
| ef:activity/change/20260822T0600486828500000/231823 | references | ef:agent/enrich_references | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v9 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v10 |
| ef:activity/change/20260822T0600486828500000/249649 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v10 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v11 |
| ef:activity/change/20260822T0600486828500000/254990 | altLabel | ef:agent/chebi_altlabels | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v11 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v12 |
| ef:activity/change/20260822T0600486828500000/266865 | altLabel | ef:agent/consensus_match | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v12 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v13 |
| ef:activity/change/20260822T0600486828500000/266866 | cas_match_labels | ef:agent/consensus_match | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v13 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v14 |
| ef:activity/change/20260822T0600486828500000/274782 | properties | ef:agent/opsin_iupac | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v14 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v15 |
| ef:activity/change/20260822T0600486828500000/281252 | properties | ef:agent/rdkit_post_consensus | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v15 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v16 |
| ef:activity/change/20260822T0600486828500000/288247 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v16 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v17 |
| ef:activity/change/20260822T0600486828500000/355626 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v17 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v18 |
| ef:activity/change/20260822T0600486828500000/389092 | properties | ef:agent/normalise_property_values | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v18 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v19 |
| ef:activity/change/20260822T0600486828500000/396101 | types | ef:agent/link_flows_to_their_substance | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v19 | ef:flow/a7382204-faba-4a00-8d73-9206fd31c3fc/v20 |