2-methylpropanoic Acid, (2-methyl-1-oxopropyl) Ester
Everything that changed this flow. Back to the flow
005d1b2e-8e97-40ab-8f91-b3daae886624
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 | 2 | chebi_altlabels, consensus_match | group_key=2-methylpropanoicacid,(2-methyl-1-oxopropyl)ester||dimension=Environmental > media=Air > indoor=Unknown; cas=97-72-3; added Common Chemistry CAS names as altLabel: 2-Methylpropanoic acid anhydride, 2-Methylpropanoyl-2-methylpropanoate, 2-Methylpropionic acid anhydride, 2-Methylpropionic anhydride, Isobutanoic anhydride, Isobutyric acid anhydride, Isobutyryl anhydride, Propanoic acid, 2-methyl-, 1,1′-anhydride, Propanoic acid, 2-methyl-, anhydride; object_uuid=fo-c3bd95c7022c9568 |
| 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=2-methylpropanoicacid,(2-methyl-1-oxopropyl)ester||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'97-72-3': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c3bd95c7022c9568: {'97-72-3': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['97-72-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_84261']; candidate_pubchem_cids=[7346, 23668621]; selected_pubchem_cids=[7346]; 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 |
|---|---|---|---|---|---|
| 347 | bootstrap_labels | prefLabel | — | [{"@value":"2-methylpropanoic acid, (2-methyl-1-oxopropyl) ester","@language":"en","source":{"prov:wasGeneratedBy":"boo… | Bootstrapped prefLabel from legacy name field |
| 348 | bootstrap_labels | name | 2-methylpropanoic acid, (2-methyl-1-oxopropyl) ester | — | Purged legacy name field to enforce prefLabel usage |
| 349 | bootstrap_labels | synonyms | ["organic","isobutyricanhydride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 26,132 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 26,133 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 213,454 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,174 | normalize_name_case | prefLabel | [{"@value":"2-methylpropanoic acid, (2-methyl-1-oxopropyl) ester","@language":"en","source":{"prov:wasGeneratedBy":"boo… | [{"@value":"2-methylpropanoic Acid, (2-methyl-1-oxopropyl) Ester","@language":"en","source":{"prov:wasGeneratedBy":"boo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,501 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,502 | enrich_references | skos_definition | — | [{"@value":"An acyclic carboxylic anhydride of isobutyric acid. Metabolite observed in cancer metabolism.","@language":… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,503 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.161F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['97-72-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_84261']; candidate_pubchem_cids=[7346, 23668621]; selected_pubchem_cids=[7346]; 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 |
| 248,409 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | rdkit_pre_consensus from 'CC(C)C(=O)OC(=O)C(C)C'; added: monoisotopic_mass |
| 254,426 | chebi_altlabels | altLabel | [] | [{"@value":"2-methylpropanoic anhydride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,202 | consensus_match | altLabel | [{"@value":"2-methylpropanoic anhydride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"2-methylpropanoic anhydride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | group_key=2-methylpropanoicacid,(2-methyl-1-oxopropyl)ester||dimension=Environmental > media=Air > indoor=Unknown; cas=97-72-3; added Common Chemistry CAS names as altLabel: 2-Methylpropanoic acid anhydride, 2-Methylpropanoyl-2-methylpropanoate, 2-Methylpropionic acid anhydride, 2-Methylpropionic anhydride, Isobutanoic anhydride, Isobutyric acid anhydride, Isobutyryl anhydride, Propanoic acid, 2-methyl-, 1,1′-anhydride, Propanoic acid, 2-methyl-, anhydride; object_uuid=fo-c3bd95c7022c9568 |
| 261,203 | consensus_match | cas_match_labels | — | {"97-72-3":"exactMatch"} | group_key=2-methylpropanoicacid,(2-methyl-1-oxopropyl)ester||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'97-72-3': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c3bd95c7022c9568: {'97-72-3': 'exactMatch'} |
| 273,549 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methylpropanoic Acid, (2-methyl-1-oxopropyl) Ester' |
| 279,906 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | rdkit_post_consensus from 'CC(C)C(=O)OC(=O)C(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 294,130 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/005d1b2e-8e97-… | associations resolved on the elementary layer |
| 387,827 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H14O3"],… | typed the way the ontology types it |
| 394,319 | 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/20260820T0738569779880000/347 | prefLabel | ef:agent/bootstrap_labels | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v0 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v1 |
| ef:activity/change/20260820T0738569779880000/348 | name | ef:agent/bootstrap_labels | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v1 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v2 |
| ef:activity/change/20260820T0738569779880000/349 | synonyms | ef:agent/bootstrap_labels | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v2 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v3 |
| ef:activity/change/20260820T0738569779880000/26132 | context | ef:agent/default_context_mapping | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v3 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v4 |
| ef:activity/change/20260820T0738569779880000/26133 | context_iri | ef:agent/default_context_mapping | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v4 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v5 |
| ef:activity/change/20260820T0738569779880000/213454 | unit_iri | ef:agent/unit_normalization | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v5 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v6 |
| ef:activity/change/20260820T0738569779880000/221174 | prefLabel | ef:agent/normalize_name_case | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v6 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v7 |
| ef:activity/change/20260820T0738569779880000/227501 | properties | ef:agent/enrich_references | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v7 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v8 |
| ef:activity/change/20260820T0738569779880000/227502 | skos_definition | ef:agent/enrich_references | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v8 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v9 |
| ef:activity/change/20260820T0738569779880000/227503 | references | ef:agent/enrich_references | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v9 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v10 |
| ef:activity/change/20260820T0738569779880000/248409 | properties | ef:agent/rdkit_pre_consensus | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v10 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v11 |
| ef:activity/change/20260820T0738569779880000/254426 | altLabel | ef:agent/chebi_altlabels | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v11 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v12 |
| ef:activity/change/20260820T0738569779880000/261202 | altLabel | ef:agent/consensus_match | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v12 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v13 |
| ef:activity/change/20260820T0738569779880000/261203 | cas_match_labels | ef:agent/consensus_match | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v13 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v14 |
| ef:activity/change/20260820T0738569779880000/273549 | properties | ef:agent/opsin_iupac | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v14 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v15 |
| ef:activity/change/20260820T0738569779880000/279906 | properties | ef:agent/rdkit_post_consensus | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v15 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v16 |
| ef:activity/change/20260820T0738569779880000/294130 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v16 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v17 |
| ef:activity/change/20260820T0738569779880000/387827 | properties | ef:agent/normalise_property_values | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v17 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v18 |
| ef:activity/change/20260820T0738569779880000/394319 | types | ef:agent/link_flows_to_their_substance | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v18 | ef:flow/005d1b2e-8e97-40ab-8f91-b3daae886624/v19 |