Dimethyl Malonate
Everything that changed this flow. Back to the flow
8fcab943-ac49-4ae1-a41a-2d6dc8fde346
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 620046' (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=dimethylmalonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-59-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-937b139b961ac2b0: {'108-59-8': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['108-59-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[7943, 169912, 1545721]; selected_pubchem_cids=[7943]; 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 |
|---|---|---|---|---|---|
| 10,910 | bootstrap_labels | prefLabel | — | [{"@value":"dimethyl malonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 10,911 | bootstrap_labels | name | dimethyl malonate | — | Purged legacy name field to enforce prefLabel usage |
| 10,912 | bootstrap_labels | synonyms | ["AB1003576","AC1L1PWR","AC1Q43ZH","AC1Q43ZI","AKOS001426594","BB_SC-6935","Dimethyl 1,3-propanedioate","Dimethyl propa… | [] | Removed legacy synonyms field in favor of structured labels |
| 135,252 | 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 |
| 135,253 | 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 |
| 216,957 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,640 | normalize_name_case | prefLabel | [{"@value":"dimethyl malonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Dimethyl Malonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,562 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O4"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,563 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,564 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.499K","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['108-59-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[7943, 169912, 1545721]; selected_pubchem_cids=[7943]; 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 |
| 251,295 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O4"],"… | rdkit_pre_consensus from 'COC(=O)CC(=O)OC'; added: molecular_mass, monoisotopic_mass |
| 266,106 | consensus_match | altLabel | [] | [{"@value":"Dimethyl 1,3-propanedioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | group_key=dimethylmalonate||dimension=Environmental > media=Water > water_body=Unknown; cas=108-59-8; added Common Chemistry CAS names as altLabel: Dimethyl 1,3-propanedioate, Dimethyl propanedioate, Malonic acid, dimethyl ester, Methyl malonate, NSC 620046, Propanedioic acid, 1,3-dimethyl ester, Propanedioic acid, dimethyl ester; object_uuid=fo-937b139b961ac2b0 |
| 266,107 | consensus_match | cas_match_labels | — | {"108-59-8":"exactMatch"} | group_key=dimethylmalonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-59-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-937b139b961ac2b0: {'108-59-8': 'exactMatch'} |
| 276,481 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O4"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dimethyl Malonate' |
| 283,089 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O4"],"… | rdkit_post_consensus from 'COC(=O)CC(=O)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,522 | strip_catalogue_altlabels | altLabel | [{"@value":"Dimethyl 1,3-propanedioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | [{"@value":"Dimethyl 1,3-propanedioate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | Removed 1 catalogue altLabel value(s): 'NSC 620046' (registry code) |
| 348,622 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8fcab943-ac49-… | associations resolved on the elementary layer |
| 390,836 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O4"],"… | typed the way the ontology types it |
| 398,622 | 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/20260822T0600486828500000/10910 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v0 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v1 |
| ef:activity/change/20260822T0600486828500000/10911 | name | ef:agent/bootstrap_labels | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v1 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v2 |
| ef:activity/change/20260822T0600486828500000/10912 | synonyms | ef:agent/bootstrap_labels | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v2 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v3 |
| ef:activity/change/20260822T0600486828500000/135252 | context | ef:agent/default_context_mapping | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v3 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v4 |
| ef:activity/change/20260822T0600486828500000/135253 | context_iri | ef:agent/default_context_mapping | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v4 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v5 |
| ef:activity/change/20260822T0600486828500000/216957 | unit_iri | ef:agent/unit_normalization | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v5 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v6 |
| ef:activity/change/20260822T0600486828500000/223640 | prefLabel | ef:agent/normalize_name_case | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v6 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v7 |
| ef:activity/change/20260822T0600486828500000/237562 | properties | ef:agent/enrich_references | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v7 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v8 |
| ef:activity/change/20260822T0600486828500000/237563 | skos_definition | ef:agent/enrich_references | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v8 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v9 |
| ef:activity/change/20260822T0600486828500000/237564 | references | ef:agent/enrich_references | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v9 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v10 |
| ef:activity/change/20260822T0600486828500000/251295 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v10 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v11 |
| ef:activity/change/20260822T0600486828500000/266106 | altLabel | ef:agent/consensus_match | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v11 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v12 |
| ef:activity/change/20260822T0600486828500000/266107 | cas_match_labels | ef:agent/consensus_match | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v12 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v13 |
| ef:activity/change/20260822T0600486828500000/276481 | properties | ef:agent/opsin_iupac | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v13 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v14 |
| ef:activity/change/20260822T0600486828500000/283089 | properties | ef:agent/rdkit_post_consensus | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v14 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v15 |
| ef:activity/change/20260822T0600486828500000/289522 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v15 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v16 |
| ef:activity/change/20260822T0600486828500000/348622 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v16 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v17 |
| ef:activity/change/20260822T0600486828500000/390836 | properties | ef:agent/normalise_property_values | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v17 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v18 |
| ef:activity/change/20260822T0600486828500000/398622 | types | ef:agent/link_flows_to_their_substance | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v18 | ef:flow/8fcab943-ac49-4ae1-a41a-2d6dc8fde346/v19 |