Magnesium Diethanolate
Everything that changed this flow. Back to the flow
249c8ddf-192c-4cc9-a8af-e5d249edb314
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_contradicted_composition | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Catylene 102' (trade name) |
| 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=magnesiumdiethanolate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2414-98-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-39d9576881f65219: {'2414-98-4': '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 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=['2414-98-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[90170, 164963, 3693605, 45051805, 131851639]; selected_pubchem_cids=[45051805]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,305 | bootstrap_labels | prefLabel | — | [{"@value":"magnesium diethanolate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 12,306 | bootstrap_labels | name | magnesium diethanolate | — | Purged legacy name field to enforce prefLabel usage |
| 12,307 | bootstrap_labels | synonyms | ["organometallic","magnesiumethanolate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 60,914 | 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 |
| 60,915 | 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 |
| 217,410 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,943 | normalize_name_case | prefLabel | [{"@value":"magnesium diethanolate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Magnesium Diethanolate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,868 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6MgO"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,869 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,870 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=2414-98-4","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['2414-98-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[90170, 164963, 3693605, 45051805, 131851639]; selected_pubchem_cids=[45051805]; 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 |
| 251,674 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6MgO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6MgO"],… | rdkit_pre_consensus from 'CCO.[Mg]'; added: molecular_mass, monoisotopic_mass |
| 268,486 | consensus_match | altLabel | [] | [{"@value":"Catylen S 300","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | group_key=magnesiumdiethanolate||dimension=Environmental > media=Air > strata=Long-term; cas=2414-98-4; added Common Chemistry CAS names as altLabel: Catylen S 300, Catylene 102, Diethoxymagnesium, Ethanol, magnesium salt, Ethanol, magnesium salt (2:1), Ethyl alcohol, magnesium salt, Magnesium diethoxide, Magnesium ethanoate, Magnesium ethanolate, Magnesium ethoxide, Magnesium ethoxide Mg(OC<sub>2</sub>H<sub>5</sub>)<sub>2</sub>, Magnesium ethylate; object_uuid=fo-39d9576881f65219 |
| 268,487 | consensus_match | cas_match_labels | — | {"2414-98-4":"exactMatch"} | group_key=magnesiumdiethanolate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2414-98-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-39d9576881f65219: {'2414-98-4': 'exactMatch'} |
| 276,858 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6MgO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6MgO"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Magnesium Diethanolate' |
| 283,504 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6MgO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6MgO","… | rdkit_post_consensus from 'CC[O-].CC[O-].[Mg+2]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,676 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6MgO","… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10MgO2"… | withhold_contradicted_composition: the registry registers [(('C', 4), ('Mg', 1), ('O', 2))], contradicting ['C2H6MgO'] from ['enrich_references.pubchem_semantic']; withdrew inchi2d_key_string x1, molecular_formula x1 |
| 289,789 | strip_catalogue_altlabels | altLabel | [{"@value":"Catylen S 300","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | [{"@value":"Catylen S 300","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | Removed 1 catalogue altLabel value(s): 'Catylene 102' (trade name) |
| 311,476 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/249c8ddf-192c-… | associations resolved on the elementary layer |
| 391,217 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10MgO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10MgO2"… | typed the way the ontology types it |
| 399,151 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/12305 | prefLabel | ef:agent/bootstrap_labels | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v0 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v1 |
| ef:activity/change/20260822T0600486828500000/12306 | name | ef:agent/bootstrap_labels | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v1 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v2 |
| ef:activity/change/20260822T0600486828500000/12307 | synonyms | ef:agent/bootstrap_labels | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v2 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v3 |
| ef:activity/change/20260822T0600486828500000/60914 | context | ef:agent/default_context_mapping | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v3 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v4 |
| ef:activity/change/20260822T0600486828500000/60915 | context_iri | ef:agent/default_context_mapping | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v4 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v5 |
| ef:activity/change/20260822T0600486828500000/217410 | unit_iri | ef:agent/unit_normalization | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v5 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v6 |
| ef:activity/change/20260822T0600486828500000/223943 | prefLabel | ef:agent/normalize_name_case | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v6 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v7 |
| ef:activity/change/20260822T0600486828500000/238868 | properties | ef:agent/enrich_references | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v7 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v8 |
| ef:activity/change/20260822T0600486828500000/238869 | skos_definition | ef:agent/enrich_references | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v8 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v9 |
| ef:activity/change/20260822T0600486828500000/238870 | references | ef:agent/enrich_references | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v9 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v10 |
| ef:activity/change/20260822T0600486828500000/251674 | properties | ef:agent/rdkit_pre_consensus | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v10 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v11 |
| ef:activity/change/20260822T0600486828500000/268486 | altLabel | ef:agent/consensus_match | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v11 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v12 |
| ef:activity/change/20260822T0600486828500000/268487 | cas_match_labels | ef:agent/consensus_match | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v12 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v13 |
| ef:activity/change/20260822T0600486828500000/276858 | properties | ef:agent/opsin_iupac | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v13 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v14 |
| ef:activity/change/20260822T0600486828500000/283504 | properties | ef:agent/rdkit_post_consensus | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v14 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v15 |
| ef:activity/change/20260822T0600486828500000/286676 | properties | ef:agent/withhold_contradicted_composition | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v15 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v16 |
| ef:activity/change/20260822T0600486828500000/289789 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v16 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v17 |
| ef:activity/change/20260822T0600486828500000/311476 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v17 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v18 |
| ef:activity/change/20260822T0600486828500000/391217 | properties | ef:agent/normalise_property_values | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v18 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v19 |
| ef:activity/change/20260822T0600486828500000/399151 | types | ef:agent/link_flows_to_their_substance | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v19 | ef:flow/249c8ddf-192c-4cc9-a8af-e5d249edb314/v20 |