3-methyl-4-oxobut-2-en-1-yl Acetate
Everything that changed this flow. Back to the flow
a0e29417-7ff1-4b1c-9480-bea66384dc04
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=3-methyl-4-oxobut-2-en-1-ylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26586-02-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-44026f66374e775d: {'26586-02-7': '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 water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['26586-02-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[84699, 6365337]; selected_pubchem_cids=[6365337]; 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 |
|---|---|---|---|---|---|
| 2,932 | bootstrap_labels | prefLabel | — | [{"@value":"3-methyl-4-oxobut-2-en-1-yl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 2,933 | bootstrap_labels | name | 3-methyl-4-oxobut-2-en-1-yl acetate | — | Purged legacy name field to enforce prefLabel usage |
| 2,934 | bootstrap_labels | synonyms | ["organic","(e)-3-formylbut-2-enylacetate","2-butenal,4-(acetyloxy)-2-methyl-(9ci)","2-methyl-4-acetoxy-but-2-enal","3-… | [] | Removed legacy synonyms field in favor of structured labels |
| 145,446 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 145,447 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 214,317 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,760 | normalize_name_case | prefLabel | [{"@value":"3-methyl-4-oxobut-2-en-1-yl acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | [{"@value":"3-methyl-4-oxobut-2-en-1-yl Acetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,996 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,997 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,998 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J227.231H","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['26586-02-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[84699, 6365337]; selected_pubchem_cids=[6365337]; 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 |
| 249,129 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | rdkit_pre_consensus from 'C/C(=C\\COC(=O)C)/C=O'; added: molecular_mass, monoisotopic_mass |
| 262,095 | consensus_match | altLabel | [] | [{"@value":"(2<em>E</em>)-4-(Acetyloxy)-2-methyl-2-butenal","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | group_key=3-methyl-4-oxobut-2-en-1-ylacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=26586-02-7; added Common Chemistry CAS names as altLabel: (2<em>E</em>)-4-(Acetyloxy)-2-methyl-2-butenal, (<em>E</em>)-4-Acetoxy-2-methyl-2-butenal, (E)-3-Formyl-2-butenyl acetate, (E)-3-Methyl-4-oxobut-2-en-1-yl acetate, 2-Butenal, 4-(acetyloxy)-2-methyl-, (2<em>E</em>)-, 2-Butenal, 4-(acetyloxy)-2-methyl-, (<em>E</em>)-, Crotonaldehyde, 4-hydroxy-2-methyl-, acetate, (<em>E</em>)-, γ-Acetoxytiglic aldehyde, γ-Acetoxytiglinaldehyde; object_uuid=fo-44026f66374e775d |
| 262,096 | consensus_match | cas_match_labels | — | {"26586-02-7":"exactMatch"} | group_key=3-methyl-4-oxobut-2-en-1-ylacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'26586-02-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-44026f66374e775d: {'26586-02-7': 'exactMatch'} |
| 274,245 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(2E)-4-(Acetyloxy)-2-methyl-2-butenal' |
| 280,673 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | rdkit_post_consensus from 'CC(=O)OC/C=C(\\C)C=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,139 | dedupe_altlabels | altLabel | [{"@value":"(2<em>E</em>)-4-(Acetyloxy)-2-methyl-2-butenal","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | [{"@value":"(2E)-4-(Acetyloxy)-2-methyl-2-butenal","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | Deduplicated altLabel values and removed entries matching prefLabel |
| 353,725 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a0e29417-7ff1-… | associations resolved on the elementary layer |
| 388,542 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | typed the way the ontology types it |
| 395,320 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 395,321 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10O3"],… | 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/20260821T1302361922970000/2932 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v0 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v1 |
| ef:activity/change/20260821T1302361922970000/2933 | name | ef:agent/bootstrap_labels | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v1 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v2 |
| ef:activity/change/20260821T1302361922970000/2934 | synonyms | ef:agent/bootstrap_labels | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v2 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v3 |
| ef:activity/change/20260821T1302361922970000/145446 | context | ef:agent/default_context_mapping | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v3 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v4 |
| ef:activity/change/20260821T1302361922970000/145447 | context_iri | ef:agent/default_context_mapping | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v4 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v5 |
| ef:activity/change/20260821T1302361922970000/214317 | unit_iri | ef:agent/unit_normalization | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v5 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v6 |
| ef:activity/change/20260821T1302361922970000/221760 | prefLabel | ef:agent/normalize_name_case | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v6 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v7 |
| ef:activity/change/20260821T1302361922970000/229996 | properties | ef:agent/enrich_references | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v7 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v8 |
| ef:activity/change/20260821T1302361922970000/229997 | skos_definition | ef:agent/enrich_references | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v8 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v9 |
| ef:activity/change/20260821T1302361922970000/229998 | references | ef:agent/enrich_references | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v9 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v10 |
| ef:activity/change/20260821T1302361922970000/249129 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v10 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v11 |
| ef:activity/change/20260821T1302361922970000/262095 | altLabel | ef:agent/consensus_match | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v11 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v12 |
| ef:activity/change/20260821T1302361922970000/262096 | cas_match_labels | ef:agent/consensus_match | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v12 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v13 |
| ef:activity/change/20260821T1302361922970000/274245 | properties | ef:agent/opsin_iupac | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v13 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v14 |
| ef:activity/change/20260821T1302361922970000/280673 | properties | ef:agent/rdkit_post_consensus | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v14 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v15 |
| ef:activity/change/20260821T1302361922970000/292139 | altLabel | ef:agent/dedupe_altlabels | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v15 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v16 |
| ef:activity/change/20260821T1302361922970000/353725 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v16 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v17 |
| ef:activity/change/20260821T1302361922970000/388542 | properties | ef:agent/normalise_property_values | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v17 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v18 |
| ef:activity/change/20260821T1302361922970000/395320 | types | ef:agent/link_flows_to_their_substance | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v18 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v19 |
| ef:activity/change/20260821T1302361922970000/395321 | properties | ef:agent/link_flows_to_their_substance | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v19 | ef:flow/a0e29417-7ff1-4b1c-9480-bea66384dc04/v20 |