Acetylacetone
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-b0c993dac61c2183
Changes
59| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 10,835 | bootstrap_labels | prefLabel | — | [{"@value":"pentane-2,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 10,836 | bootstrap_labels | name | pentane-2,4-dione | — | Purged legacy name field to enforce prefLabel usage |
| 10,837 | bootstrap_labels | synonyms | ["2,4-Dioxopentane","2,4-Pentadione","2,4-Pentanedione","2-Propanone, acetyl-","AB1003120","AC1L1L9G","AC1Q1K48","ACAC"… | [] | Removed legacy synonyms field in favor of structured labels |
| 23,724 | bootstrap_labels | synonyms | ["acetylacetone","pentane-2,4-dione","pentanedione, 2,4-","2,4-pentanedione","2,4-dioxopentane","2-propanone,acetyl","a… | [] | Removed legacy synonyms field in favor of structured labels |
| 43,589 | 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 |
| 43,590 | 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 |
| 48,427 | 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 |
| 48,428 | 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 |
| 63,185 | 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 |
| 63,186 | 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 |
| 65,321 | 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 |
| 65,322 | 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 |
| 73,701 | 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 |
| 73,702 | 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 |
| 102,219 | 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 |
| 102,220 | 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 |
| 116,045 | 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) |
| 116,046 | 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) |
| 119,149 | 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 |
| 119,150 | 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 |
| 136,563 | 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 |
| 136,564 | 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 |
| 162,351 | 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) |
| 162,352 | 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) |
| 170,577 | 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 |
| 170,578 | 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 |
| 182,111 | 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 |
| 182,112 | 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 |
| 184,087 | 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 |
| 184,088 | 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 |
| 216,935 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,627 | normalize_name_case | prefLabel | [{"@value":"pentane-2,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Pentane-2,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,497 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,498 | enrich_references | skos_definition | — | [{"@value":"A β-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups.","@lan… | Merged ChEBI/PubChem definitions into skos:definition |
| 237,499 | enrich_references | references | [] | [{"@id":"gmelin:2537","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"brigh… | Added references with provenance; cas_numbers=['123-54-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_14750']; candidate_pubchem_cids=[31261, 20494703]; selected_pubchem_cids=[31261]; 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 |
| 251,283 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | rdkit_pre_consensus from 'CC(=O)CC(=O)C'; added: monoisotopic_mass |
| 255,915 | chebi_altlabels | altLabel | [] | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | Added 12 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,470 | consensus_match | prefLabel | [{"@value":"Pentane-2,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Acetylacetone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"b… | cas=123-54-6; cc_chebi_agreed_name='Acetylacetone'; object_uuid=fo-b0c993dac61c2183 |
| 270,471 | consensus_match | altLabel | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | cas=123-54-6; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-b0c993dac61c2183 |
| 270,472 | consensus_match | altLabel | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | group_key=pentane-2,4-dione||dimension=Environmental > media=Water > water_body=Ocean; cas=123-54-6; added Common Chemistry CAS names as altLabel: 2,4-Pentandione, 2-Propanone, acetyl-, Diacetylmethane, NSC 139614, NSC 2679, NSC 2927, NSC 52336, NSC 54069, NSC 5575, NSC 77075, NSC 78795; object_uuid=fo-b0c993dac61c2183 |
| 270,473 | consensus_match | cas_match_labels | — | {"123-54-6":"exactMatch"} | group_key=pentane-2,4-dione||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-54-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b0c993dac61c2183: {'123-54-6': 'exactMatch'} |
| 276,470 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Acetylacetone' |
| 283,076 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | rdkit_post_consensus from 'CC(=O)CC(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,524 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | [{"@value":"2,4-Dioxopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo"… | Removed 8 catalogue altLabel value(s): 'NSC 139614' (registry code), 'NSC 2679' (registry code), 'NSC 2927' (registry code), 'NSC 52336' (registry code), 'NSC 54069' (registry code), 'NSC 5575' (registry code), 'NSC 77075' (registry code), 'NSC 78795' (registry code) |
| 302,861 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0c01e125-f885-… | associations resolved on the elementary layer |
| 305,281 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/12b20eb7-0e49-… | associations resolved on the elementary layer |
| 312,651 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/28a30723-566e-… | associations resolved on the elementary layer |
| 313,719 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2a9a734a-acd7-… | associations resolved on the elementary layer |
| 317,906 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/37bbff1b-344b-… | associations resolved on the elementary layer |
| 332,145 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/583abd02-4072-… | associations resolved on the elementary layer |