(9,11)ß-epoxide-16α,17α,21-trihydroxypregna-1,4-diene-3,20-dione, 21-acetate, 16,17-acetonide
Everything that changed this flow. Back to the flow
0ec638cd-bc95-472c-b0e6-0033d9e67a9d
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 |
| altLabel | 1 | consensus_match | group_key=(9,11)ß-epoxide-16α,17α,21-trihydroxypregna-1,4-diene-3,20-dione,21-acetate,16,17-acetonide||dimension=Environmental > media=Air > strata=Unknown; cas=25092-32-4; added Common Chemistry CAS names as altLabel: (9β,11β,16α)-21-(Acetyloxy)-9,11-epoxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione, 9β-Pregna-1,4-diene-3,20-dione, 9,11β-epoxy-16α,17,21-trihydroxy-, cyclic 16,17-acetal with acetone, acetate, Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-16,17-[(1-methylethylidene)bis(oxy)]-, (9β,11β,16α)-; object_uuid=fo-96e2933653132935 |
| cas_match_labels | 1 | consensus_match | group_key=(9,11)ß-epoxide-16α,17α,21-trihydroxypregna-1,4-diene-3,20-dione,21-acetate,16,17-acetonide||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'25092-32-4': []}; assigned CAS labels from group consensus; object_uuid=fo-96e2933653132935: {'25092-32-4': '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 air > Emissions to air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['25092-32-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[20286321, 156620227, 176478130]; selected_pubchem_cids=[156620227]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,236 | bootstrap_labels | prefLabel | — | [{"@value":"(9,11)ß-epoxide-16α,17α,21-trihydroxypregna-1,4-diene-3,20-dione, 21-acetate, 16,17-acetonide","@language":… | Bootstrapped prefLabel from legacy name field |
| 12,237 | bootstrap_labels | name | (9,11)ß-epoxide-16α,17α,21-trihydroxypregna-1,4-diene-3,20-dione, 21-acetate, 16,17-acetonide | — | Purged legacy name field to enforce prefLabel usage |
| 12,238 | bootstrap_labels | synonyms | ["organic","pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-epoxy-16,17-[(1-methylethylidene)bis(oxy)]-,(9î²,11î²,16î±)… | [] | Removed legacy synonyms field in favor of structured labels |
| 46,106 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 46,107 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 217,395 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 238,815 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H32O7"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,816 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,817 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.109.244","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['25092-32-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[20286321, 156620227, 176478130]; selected_pubchem_cids=[156620227]; 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 |
| 251,665 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H32O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H32O7"]… | rdkit_pre_consensus from 'CC(=O)OCC(=O)C12C(CC3C1(CC4C5(C3CCC6=CC(=O)C=CC65C)O4)C)OC(O2)(C)C'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 257,823 | consensus_match | altLabel | [] | [{"@value":"(9β,11β,16α)-21-(Acetyloxy)-9,11-epoxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione","@l… | group_key=(9,11)ß-epoxide-16α,17α,21-trihydroxypregna-1,4-diene-3,20-dione,21-acetate,16,17-acetonide||dimension=Environmental > media=Air > strata=Unknown; cas=25092-32-4; added Common Chemistry CAS names as altLabel: (9β,11β,16α)-21-(Acetyloxy)-9,11-epoxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione, 9β-Pregna-1,4-diene-3,20-dione, 9,11β-epoxy-16α,17,21-trihydroxy-, cyclic 16,17-acetal with acetone, acetate, Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-16,17-[(1-methylethylidene)bis(oxy)]-, (9β,11β,16α)-; object_uuid=fo-96e2933653132935 |
| 257,824 | consensus_match | cas_match_labels | — | {"25092-32-4":"exactMatch"} | group_key=(9,11)ß-epoxide-16α,17α,21-trihydroxypregna-1,4-diene-3,20-dione,21-acetate,16,17-acetonide||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'25092-32-4': []}; assigned CAS labels from group consensus; object_uuid=fo-96e2933653132935: {'25092-32-4': 'exactMatch'} |
| 283,505 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H32O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H32O7"]… | rdkit_post_consensus from 'CC(=O)OCC(=O)C12C(CC3C1(CC4C5(C3CCC6=CC(=O)C=CC65C)O4)C)OC(O2)(C)C'; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 304,099 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0ec638cd-bc95-… | associations resolved on the elementary layer |
| 391,221 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H32O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H32O7"]… | typed the way the ontology types it |
| 399,152 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 399,153 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H32O7"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C26H32O7"]… | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260820T1416470405690000/12236 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v0 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v1 |
| ef:activity/change/20260820T1416470405690000/12237 | name | ef:agent/bootstrap_labels | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v1 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v2 |
| ef:activity/change/20260820T1416470405690000/12238 | synonyms | ef:agent/bootstrap_labels | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v2 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v3 |
| ef:activity/change/20260820T1416470405690000/46106 | context | ef:agent/default_context_mapping | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v3 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v4 |
| ef:activity/change/20260820T1416470405690000/46107 | context_iri | ef:agent/default_context_mapping | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v4 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v5 |
| ef:activity/change/20260820T1416470405690000/217395 | unit_iri | ef:agent/unit_normalization | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v5 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v6 |
| ef:activity/change/20260820T1416470405690000/238815 | properties | ef:agent/enrich_references | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v6 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v7 |
| ef:activity/change/20260820T1416470405690000/238816 | skos_definition | ef:agent/enrich_references | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v7 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v8 |
| ef:activity/change/20260820T1416470405690000/238817 | references | ef:agent/enrich_references | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v8 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v9 |
| ef:activity/change/20260820T1416470405690000/251665 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v9 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v10 |
| ef:activity/change/20260820T1416470405690000/257823 | altLabel | ef:agent/consensus_match | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v10 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v11 |
| ef:activity/change/20260820T1416470405690000/257824 | cas_match_labels | ef:agent/consensus_match | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v11 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v12 |
| ef:activity/change/20260820T1416470405690000/283505 | properties | ef:agent/rdkit_post_consensus | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v12 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v13 |
| ef:activity/change/20260820T1416470405690000/304099 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v13 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v14 |
| ef:activity/change/20260820T1416470405690000/391221 | properties | ef:agent/normalise_property_values | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v14 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v15 |
| ef:activity/change/20260820T1416470405690000/399152 | types | ef:agent/link_flows_to_their_substance | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v15 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v16 |
| ef:activity/change/20260820T1416470405690000/399153 | properties | ef:agent/link_flows_to_their_substance | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v16 | ef:flow/0ec638cd-bc95-472c-b0e6-0033d9e67a9d/v17 |