Estradiol
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-8fac-0050c2490048
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 6 catalogue altLabel value(s): 'Compudose 100' (trade name), 'Compudose 200' (trade name), 'Compudose 365' (trade name), 'Compudose 400' (trade name), 'E 2' (grade code), 'NSC 9895' (registry code) |
| 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=estradiol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'50-28-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fbed683a56d33fa2: {'50-28-2': '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=['50-28-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16469']; candidate_pubchem_cids=[450, 3115, 5757, 21070, 68570, 667480, 667515, 721867, 5317221, 6328313, 20056856, 43912931, 68209947, 71432828, 124040733, 129010410]; selected_pubchem_cids=[5757]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 22,510 | bootstrap_labels | prefLabel | — | [{"@value":"estradiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Bootstrapped prefLabel from legacy name field |
| 22,511 | bootstrap_labels | name | estradiol | — | Purged legacy name field to enforce prefLabel usage |
| 22,512 | bootstrap_labels | synonyms | ["(+)-3,17beta-Estradiol","(13S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-b… | [] | Removed legacy synonyms field in favor of structured labels |
| 88,884 | 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 |
| 88,885 | 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 |
| 220,477 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,154 | normalize_name_case | prefLabel | [{"@value":"estradiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | [{"@value":"Estradiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,459 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,460 | enrich_references | skos_definition | — | [{"@value":"The 17β-isomer of estradiol.","@language":"en","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,461 | enrich_references | references | [] | [{"@id":"drugcentral:1057","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['50-28-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16469']; candidate_pubchem_cids=[450, 3115, 5757, 21070, 68570, 667480, 667515, 721867, 5317221, 6328313, 20056856, 43912931, 68209947, 71432828, 124040733, 129010410]; selected_pubchem_cids=[5757]; 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 |
| 254,167 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24O2"]… | rdkit_pre_consensus from 'CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O'; added: inchi2d_string |
| 257,204 | chebi_altlabels | altLabel | [] | [{"@value":"(17beta)-estra-1,3,5(10)-triene-3,17-diol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabel… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,725 | consensus_match | altLabel | [{"@value":"(17beta)-estra-1,3,5(10)-triene-3,17-diol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabel… | [{"@value":"(17beta)-estra-1,3,5(10)-triene-3,17-diol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabel… | group_key=estradiol||dimension=Environmental > media=Air > strata=Unknown; cas=50-28-2; added Common Chemistry CAS names as altLabel: (+)-3,17β-Estradiol, (17β)-Estra-1,3,5(10)-triene-3,17-diol, (8R,9S,13S,14S,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6<em>H</em>-cyclopenta[<em>a</em>]phenanthrene-3,17-diol, 13β-Methyl-1,3,5(10)-gonatriene-3,17β-ol, 17β-Estradiol, 17β-Estradiol E2, 17β-Oestradiol, 3,17-Epidihydroxyestratriene, 3,17β-Dihydroxyestra-1,3,5(10)-triene, 3,17β-Estradiol, Absorlent Matrix, Aerodiol, Alora, Altrad, Aquadiol, Bardiol, Benzogynestry, Bio-E Gel, Climaderm, Climara, Compudose, Compudose 100, Compudose 200, Compudose 365, Compudose 400, Corpagen, Dermestril, Destradiol, Dihydrofollicular hormone, Dihydrofolliculin, Dihydromenformon, Dihydrotheelin, Dihydroxyestrin, Dimenformon, Diogyn, Diogynets, Divigel, E 2, E2, Elestrim, Encore, Epiestriol 50, Estasorb, Estra-1,3,5(10)-triene-3,17-diol (17β)-, Estra-1,3,5(10)-triene-3,17-diol, (17β)-, Estra-1,3,5(10)-triene-3,17β-diol, Estrace, Estraderm, Estraderm MX, Estraderm TTS, Estraderm TTS 100, Estraderm TTS 50, Estradiol-17β, Estradot, Estraldine, Estrapatch, Estredox, Estreva, Estring, Estring Vaginal Ring, Estroclim, Estroclim 50, Estrogel, Estrogel HBF, Estropause, Estrovite, Evamist, Evorel, FemSeven, Femanest, Femestral, Femogen, Fempatch, Follicyclin, Gelestra, Ginosedol, Gynergon, Gynodiol, Gynoestryl, IMVEXXY, Innofem, Lamdiol, Macrodiol, MeSH ID: D004958, Menorest, Menostar, NSC 9895, Nordicol, Oesclim, Oestergon, Oestra-1,3,5(10)-triene-3,17β-diol, Oestradiol, Oestrogel, Oestroglandol, Ovahormon, Ovasterol, Ovastevol, Ovocyclin, Ovocylin, Perlatanol, Primofol, Profoliol, Profoliol B, Progynon, Progynon DH, Sandrena 1, Sprediol, Syndiol, Systen, TX 004HR, Theelin, dihydro-, Vagifem, Vivelle, Vivelle-Dot, Zesteem, Zumenon, β-Estradiol; object_uuid=fo-fbed683a56d33fa2 |
| 266,726 | consensus_match | cas_match_labels | — | {"50-28-2":"exactMatch"} | group_key=estradiol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'50-28-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fbed683a56d33fa2: {'50-28-2': 'exactMatch'} |
| 279,378 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(17beta)-estra-1,3,5(10)-triene-3,17-diol' |
| 286,253 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24O2"]… | rdkit_post_consensus from 'C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,609 | strip_catalogue_altlabels | altLabel | [{"@value":"(17beta)-estra-1,3,5(10)-triene-3,17-diol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabel… | [{"@value":"(17beta)-estra-1,3,5(10)-triene-3,17-diol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabel… | Removed 6 catalogue altLabel value(s): 'Compudose 100' (trade name), 'Compudose 200' (trade name), 'Compudose 365' (trade name), 'Compudose 400' (trade name), 'E 2' (grade code), 'NSC 9895' (registry code) |
| 325,458 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 393,770 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24O2"]… | typed the way the ontology types it |
| 402,951 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 402,952 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24O2"]… | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260822T0600486828500000/22510 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/22511 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/22512 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/88884 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/88885 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/220477 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/226154 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/247459 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/247460 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/247461 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/254167 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/257204 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/266725 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/266726 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/279378 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/286253 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/291609 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/325458 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/393770 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/402951 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v20 |
| ef:activity/change/20260822T0600486828500000/402952 | properties | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v20 | ef:flow/4d9a8790-3ddd-11dd-8fac-0050c2490048/v21 |