Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-db771df78d65c8f3
Changes
55| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 2,133 | bootstrap_labels | prefLabel | — | [{"@value":"dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | Bootstrapped prefLabel from legacy name field |
| 2,134 | bootstrap_labels | name | dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate | — | Purged legacy name field to enforce prefLabel usage |
| 2,135 | bootstrap_labels | synonyms | ["organic","dimethyl2,5-dioxocyclohexane-1,4-dicarboxylate","3,6-dihydro-2,5-dihydroxyterephthalicaciddimethylester","d… | [] | Removed legacy synonyms field in favor of structured labels |
| 27,406 | 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 |
| 27,407 | 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 |
| 46,908 | 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) |
| 46,909 | 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) |
| 47,566 | 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 |
| 47,567 | 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 |
| 68,984 | 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 |
| 68,985 | 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 |
| 72,652 | 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 |
| 72,653 | 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 |
| 84,118 | 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 |
| 84,119 | 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 |
| 115,576 | 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) |
| 115,577 | 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) |
| 144,730 | 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 |
| 144,731 | 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 |
| 163,818 | 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 |
| 163,819 | 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 |
| 177,916 | 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 |
| 177,917 | 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 |
| 183,860 | 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 |
| 183,861 | 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 |
| 189,194 | 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 |
| 189,195 | 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 |
| 193,632 | 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 |
| 193,633 | 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 |
| 214,050 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,585 | normalize_name_case | prefLabel | [{"@value":"dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | [{"@value":"Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,231 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O6"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,232 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,233 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J160.439B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['6289-46-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[80305, 94866, 45925694]; selected_pubchem_cids=[94866]; 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 |
| 248,908 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O6"]… | rdkit_pre_consensus from 'COC(=O)C1CC(=O)C(CC1=O)C(=O)OC'; added: molecular_mass, monoisotopic_mass |
| 266,070 | consensus_match | altLabel | [] | [{"@value":"1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester","@language":"en","source":{"prov:wasGener… | group_key=dimethyl2,5-dioxocyclohexane-1,4-dicarboxylate||dimension=Environmental > media=Air > strata=Unknown; cas=6289-46-9; added Common Chemistry CAS names as altLabel: 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester, 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester, 1,4-Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate, Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, Dimethyl 2,5-dioxocyclohexane-1,4-carboxylate, Dimethyl cyclohexane-2,5-dione-1,4-dicarboxylate, Dimethyl succinosuccinate, Dimethyl succinylsuccinate, NSC 122567, NSC 5670, Succinosuccinic acid dimethyl ester; object_uuid=fo-db771df78d65c8f3 |
| 266,071 | consensus_match | cas_match_labels | — | {"6289-46-9":"exactMatch"} | group_key=dimethyl2,5-dioxocyclohexane-1,4-dicarboxylate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6289-46-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db771df78d65c8f3: {'6289-46-9': 'exactMatch'} |
| 274,027 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O6"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate' |
| 280,434 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O6"]… | rdkit_post_consensus from 'COC(=O)C1CC(=O)C(C(=O)OC)CC1=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,678 | strip_catalogue_altlabels | altLabel | [{"@value":"1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester","@language":"en","source":{"prov:wasGener… | [{"@value":"1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester","@language":"en","source":{"prov:wasGener… | Removed 2 catalogue altLabel value(s): 'NSC 122567' (registry code), 'NSC 5670' (registry code) |
| 294,747 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/029ca4ed-75b1-… | associations resolved on the elementary layer |
| 304,481 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1036c7c6-bd72-… | associations resolved on the elementary layer |
| 304,811 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/11512466-e81b-… | associations resolved on the elementary layer |
| 315,509 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/30ca47e3-b69d-… | associations resolved on the elementary layer |
| 317,343 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/35cf6f57-222f-… | associations resolved on the elementary layer |
| 323,073 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/47fcae41-aa21-… | associations resolved on the elementary layer |
| 338,787 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6e6ce5c6-d189-… | associations resolved on the elementary layer |
| 353,367 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9fba23c5-6fcb-… | associations resolved on the elementary layer |
| 362,935 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c06f7375-e013-… | associations resolved on the elementary layer |
| 369,981 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d850930d-8b82-… | associations resolved on the elementary layer |