2-methylpropanoic Acid, (2-methyl-1-oxopropyl) Ester
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-c3bd95c7022c9568
Changes
55| # | 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 |
| 27,580 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 27,581 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 30,242 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 30,243 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 83,512 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 83,513 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 107,602 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 107,603 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 126,782 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 126,783 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 132,450 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 132,451 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 149,716 | 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 |
| 149,717 | 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 |
| 154,524 | 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) |
| 154,525 | 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) |
| 160,084 | 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 |
| 160,085 | 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 |
| 182,462 | 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 |
| 182,463 | 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 |
| 184,670 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 184,671 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 201,464 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 201,465 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 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 |
| 294,854 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/02d7ec4d-f5a2-… | associations resolved on the elementary layer |
| 296,180 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/05ddea2a-edc8-… | associations resolved on the elementary layer |
| 322,790 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/46f9f23c-fd45-… | associations resolved on the elementary layer |
| 334,819 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6169e159-d764-… | associations resolved on the elementary layer |
| 344,413 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8191614c-1a34-… | associations resolved on the elementary layer |
| 347,240 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8ae2371d-a43f-… | associations resolved on the elementary layer |
| 355,900 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a7fe2def-6eb9-… | associations resolved on the elementary layer |
| 358,304 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b008c790-a5ed-… | associations resolved on the elementary layer |
| 361,086 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b9e65e0b-a737-… | associations resolved on the elementary layer |