Dimethyl maleate
Everything that changed this flow. Back to the flow
ba105b01-3ec1-4429-ab0e-d1561ae2b5b3
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 4 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=624-48-6; cc_chebi_agreed_name='Dimethyl maleate'; object_uuid=fo-3c0245764c1e0967 |
| cas_match_labels | 1 | consensus_match | group_key=dimethylbut-2-enedioate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'624-48-6': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3c0245764c1e0967: {'624-48-6': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['624-48-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_35460']; candidate_pubchem_cids=[12215, 637568, 5271565, 5459894, 77519591]; selected_pubchem_cids=[5271565]; 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
23| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 20,668 | bootstrap_labels | prefLabel | — | [{"@value":"dimethyl but-2-enedioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 20,669 | bootstrap_labels | name | dimethyl but-2-enedioate | — | Purged legacy name field to enforce prefLabel usage |
| 20,670 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 160,167 | 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 |
| 160,168 | 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 |
| 220,022 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,782 | normalize_name_case | prefLabel | [{"@value":"dimethyl but-2-enedioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"Dimethyl But-2-enedioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,239 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8O4"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,240 | enrich_references | skos_definition | — | [{"@value":"A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with methanol.… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,241 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.018I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['624-48-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_35460']; candidate_pubchem_cids=[12215, 637568, 5271565, 5459894, 77519591]; selected_pubchem_cids=[5271565]; 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 |
| 253,821 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8O4"],"… | rdkit_pre_consensus from 'COC(=O)/C=CC(=O)OC'; added: inchi2d_string, monoisotopic_mass |
| 257,031 | chebi_altlabels | altLabel | [] | [{"@value":"2-Butenedioic acid (2Z)-, dimethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,092 | consensus_match | prefLabel | [{"@value":"Dimethyl But-2-enedioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"Dimethyl maleate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | cas=624-48-6; cc_chebi_agreed_name='Dimethyl maleate'; object_uuid=fo-3c0245764c1e0967 |
| 266,093 | consensus_match | altLabel | [{"@value":"2-Butenedioic acid (2Z)-, dimethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels… | [{"@value":"2-Butenedioic acid (2Z)-, dimethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels… | cas=624-48-6; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-3c0245764c1e0967 |
| 266,094 | consensus_match | altLabel | [{"@value":"2-Butenedioic acid (2Z)-, dimethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels… | [{"@value":"2-Butenedioic acid (2Z)-, dimethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels… | group_key=dimethylbut-2-enedioate||dimension=Environmental > media=Air > strata=Unknown; cas=624-48-6; added Common Chemistry CAS names as altLabel: (2<em>Z</em>)-2-Butenedioic acid dimethyl ester, (<em>Z</em>)-Dimethyl 2-butenedioate, (Z)-2-Butenedioic acid dimethyl ester, 1,4-Dimethyl (2Z)-but-2-enedioate, 2-Butenedioic acid (2<em>Z</em>)-, 1,4-dimethyl ester, Dimethyl (<em>Z</em>)-butenedioate, Dimethyl (Z)-but-2-enedioate, Dimethyl <em>cis</em>-butenedioate, Dimethyl <em>cis</em>-ethenedicarboxylate, Sipomer DMM; object_uuid=fo-3c0245764c1e0967 |
| 266,095 | consensus_match | cas_match_labels | — | {"624-48-6":"exactMatch"} | group_key=dimethylbut-2-enedioate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'624-48-6': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3c0245764c1e0967: {'624-48-6': 'exactMatch'} |
| 279,024 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8O4"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dimethyl maleate' |
| 285,851 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8O4"],"… | rdkit_post_consensus from 'COC(=O)/C=C\\C(=O)OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 293,109 | dedupe_altlabels | altLabel | [{"@value":"2-Butenedioic acid (2Z)-, dimethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels… | [{"@value":"2-Butenedioic acid (2Z)-, dimethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels… | Deduplicated altLabel values and removed entries matching prefLabel |
| 361,140 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ba105b01-3ec1-… | associations resolved on the elementary layer |
| 393,431 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8O4"],"… | typed the way the ontology types it |
| 402,368 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 402,369 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8O4"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8O4"],"… | the substance's answer, copied onto its flow |
PROV-O trail
23 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/20261019T0712047113160000/20668 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v0 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v1 |
| ef:activity/change/20261019T0712047113160000/20669 | name | ef:agent/bootstrap_labels | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v1 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v2 |
| ef:activity/change/20261019T0712047113160000/20670 | synonyms | ef:agent/bootstrap_labels | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v2 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v3 |
| ef:activity/change/20261019T0712047113160000/160167 | context | ef:agent/default_context_mapping | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v3 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v4 |
| ef:activity/change/20261019T0712047113160000/160168 | context_iri | ef:agent/default_context_mapping | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v4 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v5 |
| ef:activity/change/20261019T0712047113160000/220022 | unit_iri | ef:agent/unit_normalization | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v5 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v6 |
| ef:activity/change/20261019T0712047113160000/225782 | prefLabel | ef:agent/normalize_name_case | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v6 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v7 |
| ef:activity/change/20261019T0712047113160000/246239 | properties | ef:agent/enrich_references | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v7 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v8 |
| ef:activity/change/20261019T0712047113160000/246240 | skos_definition | ef:agent/enrich_references | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v8 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v9 |
| ef:activity/change/20261019T0712047113160000/246241 | references | ef:agent/enrich_references | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v9 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v10 |
| ef:activity/change/20261019T0712047113160000/253821 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v10 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v11 |
| ef:activity/change/20261019T0712047113160000/257031 | altLabel | ef:agent/chebi_altlabels | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v11 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v12 |
| ef:activity/change/20261019T0712047113160000/266092 | prefLabel | ef:agent/consensus_match | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v12 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v13 |
| ef:activity/change/20261019T0712047113160000/266093 | altLabel | ef:agent/consensus_match | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v13 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v14 |
| ef:activity/change/20261019T0712047113160000/266094 | altLabel | ef:agent/consensus_match | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v14 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v15 |
| ef:activity/change/20261019T0712047113160000/266095 | cas_match_labels | ef:agent/consensus_match | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v15 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v16 |
| ef:activity/change/20261019T0712047113160000/279024 | properties | ef:agent/opsin_iupac | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v16 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v17 |
| ef:activity/change/20261019T0712047113160000/285851 | properties | ef:agent/rdkit_post_consensus | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v17 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v18 |
| ef:activity/change/20261019T0712047113160000/293109 | altLabel | ef:agent/dedupe_altlabels | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v18 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v19 |
| ef:activity/change/20261019T0712047113160000/361140 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v19 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v20 |
| ef:activity/change/20261019T0712047113160000/393431 | properties | ef:agent/normalise_property_values | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v20 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v21 |
| ef:activity/change/20261019T0712047113160000/402368 | types | ef:agent/link_flows_to_their_substance | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v21 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v22 |
| ef:activity/change/20261019T0712047113160000/402369 | properties | ef:agent/link_flows_to_their_substance | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v22 | ef:flow/ba105b01-3ec1-4429-ab0e-d1561ae2b5b3/v23 |