Dimethyl 2-acetylsuccinate
Everything that changed this flow. Back to the flow
7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=dimethyl2-acetylsuccinate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=10420-33-4; added Common Chemistry CAS names as altLabel: 1,4-Dimethyl 2-acetylbutanedioate, 2-Acetyl-succinic acid dimethyl ester, Acetosuccinic acid, dimethyl ester, Acetylsuccinic acid, dimethyl ester, Butanedioic acid, 2-acetyl-, 1,4-dimethyl ester, Butanedioic acid, acetyl-, dimethyl ester, Dimethyl acetylsuccinate, Succinic acid, acetyl-, dimethyl ester; object_uuid=fo-6d923f26481cf929 |
| cas_match_labels | 1 | consensus_match | group_key=dimethyl2-acetylsuccinate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'10420-33-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6d923f26481cf929: {'10420-33-4': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['10420-33-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[112039, 238822]; selected_pubchem_cids=[112039]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 21,575 | bootstrap_labels | prefLabel | — | [{"@value":"dimethyl 2-acetylsuccinate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Bootstrapped prefLabel from legacy name field |
| 21,576 | bootstrap_labels | name | dimethyl 2-acetylsuccinate | — | Purged legacy name field to enforce prefLabel usage |
| 21,577 | bootstrap_labels | synonyms | ["organic","dimethylacetylsuccinate","dmas"] | [] | Removed legacy synonyms field in favor of structured labels |
| 125,022 | 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) |
| 125,023 | 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) |
| 220,253 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,968 | normalize_name_case | prefLabel | [{"@value":"dimethyl 2-acetylsuccinate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | [{"@value":"Dimethyl 2-acetylsuccinate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,863 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O5"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,864 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,865 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J212.384C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['10420-33-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[112039, 238822]; selected_pubchem_cids=[112039]; 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 |
| 253,999 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O5"],… | rdkit_pre_consensus from 'CC(=O)C(CC(=O)OC)C(=O)OC'; added: molecular_mass, monoisotopic_mass |
| 266,074 | consensus_match | altLabel | [] | [{"@value":"1,4-Dimethyl 2-acetylbutanedioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | group_key=dimethyl2-acetylsuccinate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=10420-33-4; added Common Chemistry CAS names as altLabel: 1,4-Dimethyl 2-acetylbutanedioate, 2-Acetyl-succinic acid dimethyl ester, Acetosuccinic acid, dimethyl ester, Acetylsuccinic acid, dimethyl ester, Butanedioic acid, 2-acetyl-, 1,4-dimethyl ester, Butanedioic acid, acetyl-, dimethyl ester, Dimethyl acetylsuccinate, Succinic acid, acetyl-, dimethyl ester; object_uuid=fo-6d923f26481cf929 |
| 266,075 | consensus_match | cas_match_labels | — | {"10420-33-4":"exactMatch"} | group_key=dimethyl2-acetylsuccinate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'10420-33-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6d923f26481cf929: {'10420-33-4': 'exactMatch'} |
| 279,192 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O5"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dimethyl 2-acetylsuccinate' |
| 286,049 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O5"],… | rdkit_post_consensus from 'COC(=O)CC(C(C)=O)C(=O)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 343,513 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7e7ab0ed-a20b-… | associations resolved on the elementary layer |
| 393,578 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12O5"],… | typed the way the ontology types it |
| 402,646 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260822T0600486828500000/21575 | prefLabel | ef:agent/bootstrap_labels | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v0 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v1 |
| ef:activity/change/20260822T0600486828500000/21576 | name | ef:agent/bootstrap_labels | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v1 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v2 |
| ef:activity/change/20260822T0600486828500000/21577 | synonyms | ef:agent/bootstrap_labels | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v2 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v3 |
| ef:activity/change/20260822T0600486828500000/125022 | context | ef:agent/default_context_mapping | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v3 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v4 |
| ef:activity/change/20260822T0600486828500000/125023 | context_iri | ef:agent/default_context_mapping | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v4 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v5 |
| ef:activity/change/20260822T0600486828500000/220253 | unit_iri | ef:agent/unit_normalization | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v5 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v6 |
| ef:activity/change/20260822T0600486828500000/225968 | prefLabel | ef:agent/normalize_name_case | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v6 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v7 |
| ef:activity/change/20260822T0600486828500000/246863 | properties | ef:agent/enrich_references | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v7 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v8 |
| ef:activity/change/20260822T0600486828500000/246864 | skos_definition | ef:agent/enrich_references | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v8 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v9 |
| ef:activity/change/20260822T0600486828500000/246865 | references | ef:agent/enrich_references | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v9 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v10 |
| ef:activity/change/20260822T0600486828500000/253999 | properties | ef:agent/rdkit_pre_consensus | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v10 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v11 |
| ef:activity/change/20260822T0600486828500000/266074 | altLabel | ef:agent/consensus_match | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v11 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v12 |
| ef:activity/change/20260822T0600486828500000/266075 | cas_match_labels | ef:agent/consensus_match | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v12 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v13 |
| ef:activity/change/20260822T0600486828500000/279192 | properties | ef:agent/opsin_iupac | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v13 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v14 |
| ef:activity/change/20260822T0600486828500000/286049 | properties | ef:agent/rdkit_post_consensus | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v14 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v15 |
| ef:activity/change/20260822T0600486828500000/343513 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v15 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v16 |
| ef:activity/change/20260822T0600486828500000/393578 | properties | ef:agent/normalise_property_values | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v16 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v17 |
| ef:activity/change/20260822T0600486828500000/402646 | types | ef:agent/link_flows_to_their_substance | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v17 | ef:flow/7e7ab0ed-a20b-4b19-b7c8-54d38a74bf56/v18 |