Estr-4-ene-3,11,17-trione 3-(ethylene Dithioketal) 17-(2,2-dimethylpropane-1,3-diyl Ketal)
Everything that changed this flow. Back to the flow
4536528f-96c1-4e8f-98a9-6fd44d6bd627
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, link_flows_to_their_substance, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924 |
| cas_match_labels | 1 | consensus_match | group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1174931-74-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[165364740]; selected_pubchem_cids=[165364740]; 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 |
|---|---|---|---|---|---|
| 18,704 | bootstrap_labels | prefLabel | — | [{"@value":"estr-4-ene-3,11,17-trione 3-(ethylene dithioketal) 17-(2,2-dimethylpropane-1,3-diyl ketal)","@language":"en… | Bootstrapped prefLabel from legacy name field |
| 18,705 | bootstrap_labels | name | estr-4-ene-3,11,17-trione 3-(ethylene dithioketal) 17-(2,2-dimethylpropane-1,3-diyl ketal) | — | Purged legacy name field to enforce prefLabel usage |
| 18,706 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 82,474 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 82,475 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 219,446 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,348 | normalize_name_case | prefLabel | [{"@value":"estr-4-ene-3,11,17-trione 3-(ethylene dithioketal) 17-(2,2-dimethylpropane-1,3-diyl ketal)","@language":"en… | [{"@value":"Estr-4-ene-3,11,17-trione 3-(ethylene Dithioketal) 17-(2,2-dimethylpropane-1,3-diyl Ketal)","@language":"en… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,628 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H36O3S2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,629 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,630 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.224.392","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['1174931-74-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[165364740]; selected_pubchem_cids=[165364740]; 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 |
| 253,348 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H36O3S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H36O3S2… | rdkit_pre_consensus from 'CC1(COC2(CCC3C2(CC(=O)C4C3CCC5=CC6(CCC45)SCCS6)C)OC1)C'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 266,723 | consensus_match | altLabel | [] | [{"@value":"Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioa… | group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1174931-74-8; added Common Chemistry CAS names as altLabel: Estr-4-ene-3,11,17-trione, cyclic 17-(2,2-dimethyl-1,3-propanediyl acetal) cyclic 3-(1,2-ethanediyl dithioacetal); object_uuid=fo-c5d386e9dbb2a924 |
| 266,724 | consensus_match | cas_match_labels | — | {"1174931-74-8":"exactMatch"} | group_key=estr-4-ene-3,11,17-trione3-(ethylenedithioketal)17-(2,2-dimethylpropane-1,3-diylketal)||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'1174931-74-8': []}; assigned CAS labels from group consensus; object_uuid=fo-c5d386e9dbb2a924: {'1174931-74-8': 'exactMatch'} |
| 285,330 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H36O3S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H36O3S2… | rdkit_post_consensus from 'CC1(COC2(CCC3C2(CC(=O)C4C3CCC5=CC6(CCC45)SCCS6)C)OC1)C'; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 322,251 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4536528f-96c1-… | associations resolved on the elementary layer |
| 392,925 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H36O3S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H36O3S2… | typed the way the ontology types it |
| 401,627 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 401,628 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H36O3S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C25H36O3S2… | 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/20260822T0600486828500000/18704 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v0 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v1 |
| ef:activity/change/20260822T0600486828500000/18705 | name | ef:agent/bootstrap_labels | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v1 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v2 |
| ef:activity/change/20260822T0600486828500000/18706 | synonyms | ef:agent/bootstrap_labels | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v2 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v3 |
| ef:activity/change/20260822T0600486828500000/82474 | context | ef:agent/default_context_mapping | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v3 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v4 |
| ef:activity/change/20260822T0600486828500000/82475 | context_iri | ef:agent/default_context_mapping | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v4 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v5 |
| ef:activity/change/20260822T0600486828500000/219446 | unit_iri | ef:agent/unit_normalization | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v5 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v6 |
| ef:activity/change/20260822T0600486828500000/225348 | prefLabel | ef:agent/normalize_name_case | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v6 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v7 |
| ef:activity/change/20260822T0600486828500000/244628 | properties | ef:agent/enrich_references | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v7 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v8 |
| ef:activity/change/20260822T0600486828500000/244629 | skos_definition | ef:agent/enrich_references | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v8 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v9 |
| ef:activity/change/20260822T0600486828500000/244630 | references | ef:agent/enrich_references | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v9 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v10 |
| ef:activity/change/20260822T0600486828500000/253348 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v10 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v11 |
| ef:activity/change/20260822T0600486828500000/266723 | altLabel | ef:agent/consensus_match | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v11 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v12 |
| ef:activity/change/20260822T0600486828500000/266724 | cas_match_labels | ef:agent/consensus_match | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v12 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v13 |
| ef:activity/change/20260822T0600486828500000/285330 | properties | ef:agent/rdkit_post_consensus | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v13 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v14 |
| ef:activity/change/20260822T0600486828500000/322251 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v14 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v15 |
| ef:activity/change/20260822T0600486828500000/392925 | properties | ef:agent/normalise_property_values | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v15 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v16 |
| ef:activity/change/20260822T0600486828500000/401627 | types | ef:agent/link_flows_to_their_substance | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v16 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v17 |
| ef:activity/change/20260822T0600486828500000/401628 | properties | ef:agent/link_flows_to_their_substance | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v17 | ef:flow/4536528f-96c1-4e8f-98a9-6fd44d6bd627/v18 |