Isophorone
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-d70b9fb874f69197
Changes
57| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 24,556 | bootstrap_labels | prefLabel | — | [{"@value":"isophorone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Bootstrapped prefLabel from legacy name field |
| 24,557 | bootstrap_labels | name | isophorone | — | Purged legacy name field to enforce prefLabel usage |
| 24,558 | bootstrap_labels | synonyms | ["3,5,5-trimethylcyclohex-2-enone","isophorone","2-cyclohexen-1-one, 3,5,5-trimethyl-","isophorene","3,5,5-trimethylcyc… | [] | Removed legacy synonyms field in favor of structured labels |
| 25,522 | bootstrap_labels | synonyms | [".alpha.-Isophoron",".alpha.-Isophorone","1,1,3-Trimethyl-3-cyclohexene-5-one","1,5,5-Trimethyl-1-cyclohexen-3-one","2… | [] | Removed legacy synonyms field in favor of structured labels |
| 145,794 | 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 |
| 145,795 | 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 |
| 185,290 | 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 |
| 185,291 | 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 |
| 205,924 | 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 |
| 205,925 | 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 |
| 205,926 | 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 |
| 205,927 | 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 |
| 205,928 | 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 |
| 205,929 | 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 |
| 205,930 | 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) |
| 205,931 | 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) |
| 205,932 | 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 |
| 205,933 | 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 |
| 205,934 | 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 |
| 205,935 | 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 |
| 205,936 | 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 |
| 205,937 | 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 |
| 205,938 | 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) |
| 205,939 | 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) |
| 205,940 | 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 |
| 205,941 | 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 |
| 205,942 | 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 |
| 205,943 | 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 |
| 205,944 | 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 |
| 205,945 | 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 |
| 220,854 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,457 | normalize_name_case | prefLabel | [{"@value":"isophorone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Isophorone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 248,071 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 248,072 | enrich_references | skos_definition | — | [{"@value":"A cyclic ketone, the structure of which is that of cyclohex-2-en-1-one substituted by methyl groups at posi… | Merged ChEBI/PubChem definitions into skos:definition |
| 248,073 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.954B","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['78-59-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34800']; candidate_pubchem_cids=[6544]; selected_pubchem_cids=[6544]; 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 |
| 254,322 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | rdkit_pre_consensus from 'CC1=CC(=O)CC(C)(C)C1'; added: monoisotopic_mass |
| 257,340 | chebi_altlabels | altLabel | [] | [{"@value":"1,1,3-Trimethyl-3-cyclohexene-5-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,148 | consensus_match | altLabel | [{"@value":"1,1,3-Trimethyl-3-cyclohexene-5-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | [{"@value":"1,1,3-Trimethyl-3-cyclohexene-5-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | group_key=isophorone||dimension=Environmental > media=Air > indoor=Unknown; cas=78-59-1; added Common Chemistry CAS names as altLabel: 1,5,5-Trimethyl-3-oxocyclohexene, 1-Cyclohexen-3-one, 1,5,5-trimethyl-, 2-Cyclohexen-1-one, 3,5,5-trimethyl-, 3,5,5-Trimethyl-2-cyclohexen-1-one, 3,5,5-Trimethyl-2-cyclohexene-1-one, 3,5,5-Trimethyl-2-cyclohexenone, Isoforon, Isophoron, NSC 403657, NSC 4881, α-Isophoron, α-Isophorone; object_uuid=fo-d70b9fb874f69197 |
| 268,149 | consensus_match | cas_match_labels | — | {"78-59-1":"exactMatch"} | group_key=isophorone||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'78-59-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d70b9fb874f69197: {'78-59-1': 'exactMatch'} |
| 279,650 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isophorone' |
| 286,536 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14O"],"… | rdkit_post_consensus from 'CC1=CC(=O)CC(C)(C)C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,786 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1,3-Trimethyl-3-cyclohexene-5-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | [{"@value":"1,1,3-Trimethyl-3-cyclohexene-5-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | Removed 2 catalogue altLabel value(s): 'NSC 403657' (registry code), 'NSC 4881' (registry code) |
| 353,899 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a1661fdf-f900-… | associations resolved on the elementary layer |
| 373,672 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e2faddb0-6555-… | associations resolved on the elementary layer |
| 383,997 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 383,998 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 383,999 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 384,000 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 384,001 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 384,002 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |