Mestranol
Everything that changed this flow. Back to the flow
49c1ccbc-9237-43ea-826f-b7ec33504039
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 2 catalogue altLabel value(s): 'NSC 84032' (registry code), 'SC 4725' (grade 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=mestranol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'72-33-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-718217a7d99c79de: {'72-33-3': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['72-33-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_6784']; candidate_pubchem_cids=[4080, 6291, 240477, 7076514, 12598370, 12598371, 12598376, 171395315, 176519900]; selected_pubchem_cids=[6291]; 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 |
|---|---|---|---|---|---|
| 5,564 | bootstrap_labels | prefLabel | — | [{"@value":"mestranol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Bootstrapped prefLabel from legacy name field |
| 5,565 | bootstrap_labels | name | mestranol | — | Purged legacy name field to enforce prefLabel usage |
| 5,566 | bootstrap_labels | synonyms | ["organic","mestranol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 85,082 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 85,083 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 215,197 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,383 | normalize_name_case | prefLabel | [{"@value":"mestranol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | [{"@value":"Mestranol","@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) |
| 232,531 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H26O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,532 | enrich_references | skos_definition | — | [{"@value":"A terminal acetylenic compound that is (17α)-17-ethynylestra-1(10),2,4-triene substituted by a methoxy grou… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,533 | enrich_references | references | [] | [{"@id":"drugcentral:1714","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['72-33-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_6784']; candidate_pubchem_cids=[4080, 6291, 240477, 7076514, 12598370, 12598371, 12598376, 171395315, 176519900]; selected_pubchem_cids=[6291]; 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 |
| 249,855 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H26O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H26O2"]… | rdkit_pre_consensus from 'CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC'; added: inchi2d_string |
| 255,077 | chebi_altlabels | altLabel | [] | [{"@value":"(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene","@language":"en","source":{"prov:wasGen… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,595 | consensus_match | altLabel | [{"@value":"(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene","@language":"en","source":{"prov:wasGen… | [{"@value":"(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene","@language":"en","source":{"prov:wasGen… | group_key=mestranol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=72-33-3; added Common Chemistry CAS names as altLabel: (17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol, (8R,9S,13S,14S,17R)-17-Ethynyl-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6<em>H</em>-cyclopenta[<em>a</em>]phenanthren-17-ol, 17-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17β-o1, 17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17β-ol, 17-Ethynylestradiol 3-methyl ether, 17α-Ethinylestradiol 3-methyl ether, 17α-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17β-ol, 17α-Ethynyl-3-methoxy-17β-hydroxy-Δ<sup>1,3,5(10)</sup>-estratriene, 17α-Ethynylestradiol 3-methyl ether, 17α-Ethynylestradiol methyl ether, 19-Nor-17α-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, 19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17α)-, 3-<em>O</em>-Methyl-17α-ethynylestradiol, 3-<em>O</em>-Methylethynylestradiol, 3-Methoxy-17α-ethinylestradiol, 3-Methoxy-17α-ethynylestradiol, 3-Methoxy-19-nor-17α-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-Methoxy-19-nor-17α-pregna-1,3,5(10)-trien-20-yn-17β-ol, 3-Methoxyethynylestradiol, 3-Methylethynylestradiol, 33355, 8027 C. B., Devocin, EE 3ME, Ethinylestradiol 3-methyl ether, Ethynylestradiol 3-monomethyl ether, Ethynylestradiol methyl ether, Inostral, MeSH ID: D008656, Menophase, NSC 84032, Norquen, Ovastol, SC 4725, δ-MVE; object_uuid=fo-718217a7d99c79de |
| 268,596 | consensus_match | cas_match_labels | — | {"72-33-3":"exactMatch"} | group_key=mestranol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'72-33-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-718217a7d99c79de: {'72-33-3': 'exactMatch'} |
| 274,993 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H26O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H26O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene' |
| 281,478 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H26O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H26O2"]… | rdkit_post_consensus from 'C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,388 | strip_catalogue_altlabels | altLabel | [{"@value":"(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene","@language":"en","source":{"prov:wasGen… | [{"@value":"(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene","@language":"en","source":{"prov:wasGen… | Removed 2 catalogue altLabel value(s): 'NSC 84032' (registry code), 'SC 4725' (grade code) |
| 323,556 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/49c1ccbc-9237-… | associations resolved on the elementary layer |
| 389,301 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H26O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H26O2"]… | typed the way the ontology types it |
| 396,388 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 396,389 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H26O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H26O2"]… | 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/20260822T0600486828500000/5564 | prefLabel | ef:agent/bootstrap_labels | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v0 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v1 |
| ef:activity/change/20260822T0600486828500000/5565 | name | ef:agent/bootstrap_labels | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v1 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v2 |
| ef:activity/change/20260822T0600486828500000/5566 | synonyms | ef:agent/bootstrap_labels | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v2 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v3 |
| ef:activity/change/20260822T0600486828500000/85082 | context | ef:agent/default_context_mapping | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v3 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v4 |
| ef:activity/change/20260822T0600486828500000/85083 | context_iri | ef:agent/default_context_mapping | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v4 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v5 |
| ef:activity/change/20260822T0600486828500000/215197 | unit_iri | ef:agent/unit_normalization | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v5 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v6 |
| ef:activity/change/20260822T0600486828500000/222383 | prefLabel | ef:agent/normalize_name_case | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v6 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v7 |
| ef:activity/change/20260822T0600486828500000/232531 | properties | ef:agent/enrich_references | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v7 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v8 |
| ef:activity/change/20260822T0600486828500000/232532 | skos_definition | ef:agent/enrich_references | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v8 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v9 |
| ef:activity/change/20260822T0600486828500000/232533 | references | ef:agent/enrich_references | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v9 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v10 |
| ef:activity/change/20260822T0600486828500000/249855 | properties | ef:agent/rdkit_pre_consensus | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v10 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v11 |
| ef:activity/change/20260822T0600486828500000/255077 | altLabel | ef:agent/chebi_altlabels | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v11 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v12 |
| ef:activity/change/20260822T0600486828500000/268595 | altLabel | ef:agent/consensus_match | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v12 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v13 |
| ef:activity/change/20260822T0600486828500000/268596 | cas_match_labels | ef:agent/consensus_match | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v13 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v14 |
| ef:activity/change/20260822T0600486828500000/274993 | properties | ef:agent/opsin_iupac | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v14 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v15 |
| ef:activity/change/20260822T0600486828500000/281478 | properties | ef:agent/rdkit_post_consensus | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v15 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v16 |
| ef:activity/change/20260822T0600486828500000/288388 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v16 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v17 |
| ef:activity/change/20260822T0600486828500000/323556 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v17 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v18 |
| ef:activity/change/20260822T0600486828500000/389301 | properties | ef:agent/normalise_property_values | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v18 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v19 |
| ef:activity/change/20260822T0600486828500000/396388 | types | ef:agent/link_flows_to_their_substance | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v19 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v20 |
| ef:activity/change/20260822T0600486828500000/396389 | properties | ef:agent/link_flows_to_their_substance | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v20 | ef:flow/49c1ccbc-9237-43ea-826f-b7ec33504039/v21 |