Mixture Of Isomers
Everything that changed this flow. Back to the flow
4f2d60f9-5857-47d8-8c0b-6084b59f9767
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Hykleen 300' (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=mixtureofisomers||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'30025-38-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3c6da5002acb1740: {'30025-38-8': '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 water, unspecified |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['30025-38-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[85087, 93059, 57357911]; selected_pubchem_cids=[93059, 57357911]; 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 |
|---|---|---|---|---|---|
| 9,476 | bootstrap_labels | prefLabel | — | [{"@value":"mixture of isomers","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 9,477 | bootstrap_labels | name | mixture of isomers | — | Purged legacy name field to enforce prefLabel usage |
| 9,478 | bootstrap_labels | synonyms | ["organic","ethoxypropoxypropanol","ethyldiproxitol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 97,018 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 97,019 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 216,490 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,319 | normalize_name_case | prefLabel | [{"@value":"mixture of isomers","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Mixture Of Isomers","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,241 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 236,242 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,243 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J101.447A","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['30025-38-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[85087, 93059, 57357911]; selected_pubchem_cids=[93059, 57357911]; 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 |
| 250,919 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3"],… | rdkit_pre_consensus from 'CCC(O)OCCCOCC'; added: molecular_mass, monoisotopic_mass |
| 269,022 | consensus_match | altLabel | [] | [{"@value":"(2-Ethoxymethylethoxy)propanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | group_key=mixtureofisomers||dimension=Environmental > media=Ground > geography=Unknown; cas=30025-38-8; added Common Chemistry CAS names as altLabel: (2-Ethoxymethylethoxy)propanol, Dipropylene glycol monoethyl ether, Ethoxy propoxy propanol, Hykleen 300, Propanol, (2-ethoxymethylethoxy)-; object_uuid=fo-3c6da5002acb1740 |
| 269,023 | consensus_match | cas_match_labels | — | {"30025-38-8":"exactMatch"} | group_key=mixtureofisomers||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'30025-38-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3c6da5002acb1740: {'30025-38-8': 'exactMatch'} |
| 282,683 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3"],… | rdkit_post_consensus from 'CCC(O)OCCCOCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,911 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18O3"],… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,240 | strip_catalogue_altlabels | altLabel | [{"@value":"(2-Ethoxymethylethoxy)propanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | [{"@value":"(2-Ethoxymethylethoxy)propanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | Removed 1 catalogue altLabel value(s): 'Hykleen 300' (trade name) |
| 329,506 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4f2d60f9-5857-… | associations resolved on the elementary layer |
| 398,069 | 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/20260822T0600486828500000/9476 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v0 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v1 |
| ef:activity/change/20260822T0600486828500000/9477 | name | ef:agent/bootstrap_labels | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v1 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v2 |
| ef:activity/change/20260822T0600486828500000/9478 | synonyms | ef:agent/bootstrap_labels | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v2 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v3 |
| ef:activity/change/20260822T0600486828500000/97018 | context | ef:agent/default_context_mapping | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v3 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v4 |
| ef:activity/change/20260822T0600486828500000/97019 | context_iri | ef:agent/default_context_mapping | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v4 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v5 |
| ef:activity/change/20260822T0600486828500000/216490 | unit_iri | ef:agent/unit_normalization | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v5 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v6 |
| ef:activity/change/20260822T0600486828500000/223319 | prefLabel | ef:agent/normalize_name_case | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v6 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v7 |
| ef:activity/change/20260822T0600486828500000/236241 | properties | ef:agent/enrich_references | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v7 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v8 |
| ef:activity/change/20260822T0600486828500000/236242 | skos_definition | ef:agent/enrich_references | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v8 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v9 |
| ef:activity/change/20260822T0600486828500000/236243 | references | ef:agent/enrich_references | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v9 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v10 |
| ef:activity/change/20260822T0600486828500000/250919 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v10 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v11 |
| ef:activity/change/20260822T0600486828500000/269022 | altLabel | ef:agent/consensus_match | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v11 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v12 |
| ef:activity/change/20260822T0600486828500000/269023 | cas_match_labels | ef:agent/consensus_match | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v12 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v13 |
| ef:activity/change/20260822T0600486828500000/282683 | properties | ef:agent/rdkit_post_consensus | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v13 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v14 |
| ef:activity/change/20260822T0600486828500000/286911 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v14 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v15 |
| ef:activity/change/20260822T0600486828500000/289240 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v15 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v16 |
| ef:activity/change/20260822T0600486828500000/329506 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v16 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v17 |
| ef:activity/change/20260822T0600486828500000/398069 | types | ef:agent/link_flows_to_their_substance | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v17 | ef:flow/4f2d60f9-5857-47d8-8c0b-6084b59f9767/v18 |