3-methoxyestra-1,3,5(10)-trien-17-one
Everything that changed this flow. Back to the flow
f95bb0ac-cff7-4b8c-85ec-dfd62f331af9
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 88911' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=3-methoxyestra-1,3,5(10)-trien-17-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1624-62-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f1164ce4dad0bfc0: {'1624-62-0': '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=['1624-62-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[92895, 253894, 624988, 736281, 18638565]; selected_pubchem_cids=[92895]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,350 | bootstrap_labels | prefLabel | — | [{"@value":"3-methoxyestra-1,3,5(10)-trien-17-one","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels",… | Bootstrapped prefLabel from legacy name field |
| 6,351 | bootstrap_labels | name | 3-methoxyestra-1,3,5(10)-trien-17-one | — | Purged legacy name field to enforce prefLabel usage |
| 6,352 | bootstrap_labels | synonyms | ["organic","3-methoxyoestra-1,3,5(10)-trien-17-one","zk5512"] | [] | Removed legacy synonyms field in favor of structured labels |
| 199,558 | 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 |
| 199,559 | 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 |
| 215,461 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,284 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H24O2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,285 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,286 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J22.730G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['1624-62-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[92895, 253894, 624988, 736281, 18638565]; selected_pubchem_cids=[92895]; 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 |
| 250,075 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H24O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H24O2"]… | rdkit_pre_consensus from 'CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 262,073 | consensus_match | altLabel | [] | [{"@value":"(+)-Estrone 3-methyl ether","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | group_key=3-methoxyestra-1,3,5(10)-trien-17-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1624-62-0; added Common Chemistry CAS names as altLabel: (+)-Estrone 3-methyl ether, (+)-Estrone methyl ether, (8R,9S,13S,14S)-3-Methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17<em>H</em>-cyclopenta[<em>a</em>]phenanthren-17-one, 3-<em>O</em>-Methylestrone, 3-Methoxyestra-1,3,5(10)triene-17-one, 3-Methoxyestra-1,3,5-trien-17-one, 3-Methoxyestrone, 3-Methoxyoestra-1,3,5(10)-trien-17-one, Estra-1,3,5(10)-trien-17-one, 3-methoxy-, Estrone 3-methyl ether, Estrone <em>O</em>-methyl ether, Estrone methyl ether, Mestrone, NSC 88911, Oestrone methyl ether; object_uuid=fo-f1164ce4dad0bfc0 |
| 262,074 | consensus_match | cas_match_labels | — | {"1624-62-0":"exactMatch"} | group_key=3-methoxyestra-1,3,5(10)-trien-17-one||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1624-62-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f1164ce4dad0bfc0: {'1624-62-0': 'exactMatch'} |
| 275,214 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H24O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H24O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-methoxyestra-1,3,5(10)-trien-17-one' |
| 281,714 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H24O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H24O2"]… | rdkit_post_consensus from 'COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,548 | strip_catalogue_altlabels | altLabel | [{"@value":"(+)-Estrone 3-methyl ether","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | [{"@value":"(+)-Estrone 3-methyl ether","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | Removed 1 catalogue altLabel value(s): 'NSC 88911' (registry code) |
| 380,812 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f95bb0ac-cff7-… | associations resolved on the elementary layer |
| 389,516 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H24O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H24O2"]… | typed the way the ontology types it |
| 396,704 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 396,705 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H24O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C19H24O2"]… | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1302361922970000/6350 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v0 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v1 |
| ef:activity/change/20260821T1302361922970000/6351 | name | ef:agent/bootstrap_labels | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v1 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v2 |
| ef:activity/change/20260821T1302361922970000/6352 | synonyms | ef:agent/bootstrap_labels | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v2 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v3 |
| ef:activity/change/20260821T1302361922970000/199558 | context | ef:agent/default_context_mapping | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v3 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v4 |
| ef:activity/change/20260821T1302361922970000/199559 | context_iri | ef:agent/default_context_mapping | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v4 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v5 |
| ef:activity/change/20260821T1302361922970000/215461 | unit_iri | ef:agent/unit_normalization | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v5 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v6 |
| ef:activity/change/20260821T1302361922970000/233284 | properties | ef:agent/enrich_references | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v6 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v7 |
| ef:activity/change/20260821T1302361922970000/233285 | skos_definition | ef:agent/enrich_references | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v7 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v8 |
| ef:activity/change/20260821T1302361922970000/233286 | references | ef:agent/enrich_references | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v8 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v9 |
| ef:activity/change/20260821T1302361922970000/250075 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v9 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v10 |
| ef:activity/change/20260821T1302361922970000/262073 | altLabel | ef:agent/consensus_match | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v10 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v11 |
| ef:activity/change/20260821T1302361922970000/262074 | cas_match_labels | ef:agent/consensus_match | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v11 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v12 |
| ef:activity/change/20260821T1302361922970000/275214 | properties | ef:agent/opsin_iupac | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v12 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v13 |
| ef:activity/change/20260821T1302361922970000/281714 | properties | ef:agent/rdkit_post_consensus | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v13 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v14 |
| ef:activity/change/20260821T1302361922970000/288548 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v14 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v15 |
| ef:activity/change/20260821T1302361922970000/380812 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v15 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v16 |
| ef:activity/change/20260821T1302361922970000/389516 | properties | ef:agent/normalise_property_values | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v16 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v17 |
| ef:activity/change/20260821T1302361922970000/396704 | types | ef:agent/link_flows_to_their_substance | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v17 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v18 |
| ef:activity/change/20260821T1302361922970000/396705 | properties | ef:agent/link_flows_to_their_substance | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v18 | ef:flow/f95bb0ac-cff7-4b8c-85ec-dfd62f331af9/v19 |