Mestranol
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-718217a7d99c79de
Changes
57| # | 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 |
| 30,815 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 30,816 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 42,719 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 42,720 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 74,145 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 74,146 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 85,085 | 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 |
| 85,086 | 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 |
| 96,971 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 96,972 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 106,281 | 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 |
| 106,282 | 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 |
| 108,853 | 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 |
| 108,854 | 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 |
| 115,641 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 115,642 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 126,607 | 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 |
| 126,608 | 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 |
| 156,843 | 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 |
| 156,844 | 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 |
| 159,601 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 159,602 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 173,937 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 173,938 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 176,229 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 176,230 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 215,200 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,387 | 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) |
| 232,535 | 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) |
| 232,536 | 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 |
| 232,537 | 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 |
| 249,862 | 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 |
| 255,085 | 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) |
| 268,597 | 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 |
| 268,598 | 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'} |
| 274,999 | 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' |
| 281,484 | 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 |
| 288,401 | 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) |
| 296,485 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/06d99c02-0799-… | associations resolved on the elementary layer |
| 302,423 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0a6f0d20-1492-… | associations resolved on the elementary layer |
| 318,126 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/386e28d0-bbf4-… | associations resolved on the elementary layer |
| 323,595 | 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 |
| 329,519 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4f1dd001-95cd-… | associations resolved on the elementary layer |
| 334,174 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5f2b4f13-0b19-… | associations resolved on the elementary layer |
| 335,460 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6395faa0-d437-… | associations resolved on the elementary layer |
| 338,854 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6e892192-607c-… | associations resolved on the elementary layer |
| 344,340 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/81477c5e-15f3-… | associations resolved on the elementary layer |