16α,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate
Everything that changed this flow. Back to the flow
e8a73f15-f529-41e0-8422-da5c6d90489e
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 | 1 | consensus_match | group_key=16α,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione21-acetate||dimension=Environmental > media=Air > indoor=Unknown; cas=77017-20-0; added Common Chemistry CAS names as altLabel: (16a)-21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione, (16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione, Pregna-1,4,9(11)-triene-3,20-dione, 16α,17,21-trihydroxy-, 21-acetate, Pregna-1,4,9(11)-triene-3,20-dione, 21-(acetyloxy)-16,17-dihydroxy-, (16α)-; object_uuid=fo-3ab9e1917e631326 |
| cas_match_labels | 1 | consensus_match | group_key=16α,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione21-acetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'77017-20-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ab9e1917e631326: {'77017-20-0': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 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=['77017-20-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[11825533, 13190178]; selected_pubchem_cids=[11825533]; 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 |
|---|---|---|---|---|---|
| 9,814 | bootstrap_labels | prefLabel | — | [{"@value":"16α,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate","@language":"en","source":{"prov:wasGene… | Bootstrapped prefLabel from legacy name field |
| 9,815 | bootstrap_labels | name | 16α,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate | — | Purged legacy name field to enforce prefLabel usage |
| 9,816 | bootstrap_labels | synonyms | ["organic","16î±,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione21-acetate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 189,062 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 189,063 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 216,600 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,557 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H28O6"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,558 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,559 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J309.341G","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['77017-20-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[11825533, 13190178]; selected_pubchem_cids=[11825533]; 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 |
| 251,014 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H28O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H28O6"]… | rdkit_pre_consensus from 'CC(=O)OCC(=O)C1(C(CC2C1(CC=C3C2CCC4=CC(=O)C=CC43C)C)O)O'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 259,367 | consensus_match | altLabel | [] | [{"@value":"(16a)-21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione","@language":"en","source":{"prov:was… | group_key=16α,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione21-acetate||dimension=Environmental > media=Air > indoor=Unknown; cas=77017-20-0; added Common Chemistry CAS names as altLabel: (16a)-21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione, (16α)-21-(Acetyloxy)-16,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione, Pregna-1,4,9(11)-triene-3,20-dione, 16α,17,21-trihydroxy-, 21-acetate, Pregna-1,4,9(11)-triene-3,20-dione, 21-(acetyloxy)-16,17-dihydroxy-, (16α)-; object_uuid=fo-3ab9e1917e631326 |
| 259,368 | consensus_match | cas_match_labels | — | {"77017-20-0":"exactMatch"} | group_key=16α,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione21-acetate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'77017-20-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3ab9e1917e631326: {'77017-20-0': 'exactMatch'} |
| 276,198 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H28O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H28O6"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(16a)-21-Acetyloxy-16,17-dihydroxy-pregna-1,4,9(11)-triene-3,20-dione' |
| 282,778 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H28O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H28O6"]… | rdkit_post_consensus from 'CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 375,553 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e8a73f15-f529-… | associations resolved on the elementary layer |
| 390,537 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H28O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H28O6"]… | typed the way the ontology types it |
| 398,186 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 398,187 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H28O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C23H28O6"]… | 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/20260820T1812399309960000/9814 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v0 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v1 |
| ef:activity/change/20260820T1812399309960000/9815 | name | ef:agent/bootstrap_labels | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v1 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v2 |
| ef:activity/change/20260820T1812399309960000/9816 | synonyms | ef:agent/bootstrap_labels | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v2 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v3 |
| ef:activity/change/20260820T1812399309960000/189062 | context | ef:agent/default_context_mapping | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v3 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v4 |
| ef:activity/change/20260820T1812399309960000/189063 | context_iri | ef:agent/default_context_mapping | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v4 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v5 |
| ef:activity/change/20260820T1812399309960000/216600 | unit_iri | ef:agent/unit_normalization | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v5 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v6 |
| ef:activity/change/20260820T1812399309960000/236557 | properties | ef:agent/enrich_references | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v6 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v7 |
| ef:activity/change/20260820T1812399309960000/236558 | skos_definition | ef:agent/enrich_references | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v7 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v8 |
| ef:activity/change/20260820T1812399309960000/236559 | references | ef:agent/enrich_references | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v8 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v9 |
| ef:activity/change/20260820T1812399309960000/251014 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v9 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v10 |
| ef:activity/change/20260820T1812399309960000/259367 | altLabel | ef:agent/consensus_match | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v10 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v11 |
| ef:activity/change/20260820T1812399309960000/259368 | cas_match_labels | ef:agent/consensus_match | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v11 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v12 |
| ef:activity/change/20260820T1812399309960000/276198 | properties | ef:agent/opsin_iupac | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v12 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v13 |
| ef:activity/change/20260820T1812399309960000/282778 | properties | ef:agent/rdkit_post_consensus | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v13 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v14 |
| ef:activity/change/20260820T1812399309960000/375553 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v14 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v15 |
| ef:activity/change/20260820T1812399309960000/390537 | properties | ef:agent/normalise_property_values | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v15 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v16 |
| ef:activity/change/20260820T1812399309960000/398186 | types | ef:agent/link_flows_to_their_substance | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v16 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v17 |
| ef:activity/change/20260820T1812399309960000/398187 | properties | ef:agent/link_flows_to_their_substance | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v17 | ef:flow/e8a73f15-f529-41e0-8422-da5c6d90489e/v18 |