Diethyl Fluoromalonate
Everything that changed this flow. Back to the flow
c845f60c-c874-4193-943d-92af58e37d95
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 521723' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=diethylfluoromalonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'685-88-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d25d7e5dbd65d572: {'685-88-1': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['685-88-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[12702]; selected_pubchem_cids=[12702]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 20,664 | bootstrap_labels | prefLabel | — | [{"@value":"diethyl fluoromalonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 20,665 | bootstrap_labels | name | diethyl fluoromalonate | — | Purged legacy name field to enforce prefLabel usage |
| 20,666 | bootstrap_labels | synonyms | ["organic","diethylfluoromalonate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 168,396 | 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 |
| 168,397 | 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 |
| 220,018 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,777 | normalize_name_case | prefLabel | [{"@value":"diethyl fluoromalonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Diethyl Fluoromalonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,232 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11FO4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,233 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,234 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.996G","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['685-88-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[12702]; selected_pubchem_cids=[12702]; 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 |
| 253,813 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11FO4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11FO4"]… | rdkit_pre_consensus from 'CCOC(=O)C(C(=O)OCC)F'; added: molecular_mass, monoisotopic_mass |
| 265,903 | consensus_match | altLabel | [] | [{"@value":"1,3-Diethyl 2-fluoropropanedioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | group_key=diethylfluoromalonate||dimension=Environmental > media=Air > strata=Long-term; cas=685-88-1; added Common Chemistry CAS names as altLabel: 1,3-Diethyl 2-fluoropropanedioate, 2-Fluoromalonic acid diethyl ester, Diethyl 2-fluoromalonate, Ethyl fluoromalonate, Fluoromalonic acid diethyl ester, Fluoropropanedioic acid diethyl ester, Malonic acid, fluoro-, diethyl ester, NSC 521723, Propanedioic acid, 2-fluoro-, 1,3-diethyl ester, Propanedioic acid, fluoro-, diethyl ester; object_uuid=fo-d25d7e5dbd65d572 |
| 265,904 | consensus_match | cas_match_labels | — | {"685-88-1":"exactMatch"} | group_key=diethylfluoromalonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'685-88-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d25d7e5dbd65d572: {'685-88-1': 'exactMatch'} |
| 279,015 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11FO4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11FO4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Diethyl Fluoromalonate' |
| 285,842 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11FO4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11FO4"]… | rdkit_post_consensus from 'CCOC(=O)C(F)C(=O)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,360 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Diethyl 2-fluoropropanedioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | [{"@value":"1,3-Diethyl 2-fluoropropanedioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | Removed 1 catalogue altLabel value(s): 'NSC 521723' (registry code) |
| 365,224 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c845f60c-c874-… | associations resolved on the elementary layer |
| 393,397 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11FO4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11FO4"]… | typed the way the ontology types it |
| 402,336 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260822T0600486828500000/20664 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v0 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v1 |
| ef:activity/change/20260822T0600486828500000/20665 | name | ef:agent/bootstrap_labels | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v1 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v2 |
| ef:activity/change/20260822T0600486828500000/20666 | synonyms | ef:agent/bootstrap_labels | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v2 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v3 |
| ef:activity/change/20260822T0600486828500000/168396 | context | ef:agent/default_context_mapping | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v3 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v4 |
| ef:activity/change/20260822T0600486828500000/168397 | context_iri | ef:agent/default_context_mapping | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v4 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v5 |
| ef:activity/change/20260822T0600486828500000/220018 | unit_iri | ef:agent/unit_normalization | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v5 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v6 |
| ef:activity/change/20260822T0600486828500000/225777 | prefLabel | ef:agent/normalize_name_case | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v6 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v7 |
| ef:activity/change/20260822T0600486828500000/246232 | properties | ef:agent/enrich_references | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v7 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v8 |
| ef:activity/change/20260822T0600486828500000/246233 | skos_definition | ef:agent/enrich_references | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v8 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v9 |
| ef:activity/change/20260822T0600486828500000/246234 | references | ef:agent/enrich_references | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v9 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v10 |
| ef:activity/change/20260822T0600486828500000/253813 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v10 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v11 |
| ef:activity/change/20260822T0600486828500000/265903 | altLabel | ef:agent/consensus_match | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v11 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v12 |
| ef:activity/change/20260822T0600486828500000/265904 | cas_match_labels | ef:agent/consensus_match | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v12 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v13 |
| ef:activity/change/20260822T0600486828500000/279015 | properties | ef:agent/opsin_iupac | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v13 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v14 |
| ef:activity/change/20260822T0600486828500000/285842 | properties | ef:agent/rdkit_post_consensus | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v14 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v15 |
| ef:activity/change/20260822T0600486828500000/291360 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v15 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v16 |
| ef:activity/change/20260822T0600486828500000/365224 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v16 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v17 |
| ef:activity/change/20260822T0600486828500000/393397 | properties | ef:agent/normalise_property_values | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v17 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v18 |
| ef:activity/change/20260822T0600486828500000/402336 | types | ef:agent/link_flows_to_their_substance | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v18 | ef:flow/c845f60c-c874-4193-943d-92af58e37d95/v19 |