Estradiol Mustard
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-8faf-0050c2490048
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, link_flows_to_their_substance, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 112259' (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=estradiolmustard||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'22966-79-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-49a25c5e9c1e65d7: {'22966-79-6': '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, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['22966-79-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82520']; candidate_pubchem_cids=[31586, 3935165, 171036235]; selected_pubchem_cids=[31586]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 21,682 | bootstrap_labels | prefLabel | — | [{"@value":"estradiol mustard","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 21,683 | bootstrap_labels | name | estradiol mustard | — | Purged legacy name field to enforce prefLabel usage |
| 21,684 | bootstrap_labels | synonyms | ["(17beta)-estra-1(10),2,4-triene-3,17-diyl bis({4-[bis(2-chloroethyl)amino]phenyl}acetate)","(17beta)-estra-1,3,5(10)-… | [] | Removed legacy synonyms field in favor of structured labels |
| 88,890 | 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 |
| 88,891 | 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 |
| 220,283 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,991 | normalize_name_case | prefLabel | [{"@value":"estradiol mustard","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Estradiol Mustard","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,950 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H50Cl4N… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,951 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,952 | enrich_references | references | [] | [{"@id":"drugcentral:1062","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['22966-79-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82520']; candidate_pubchem_cids=[31586, 3935165, 171036235]; selected_pubchem_cids=[31586]; 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 |
| 254,023 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H50Cl4N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H50Cl4N… | rdkit_pre_consensus from 'CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl'; added: inchi2d_string, monoisotopic_mass |
| 257,117 | chebi_altlabels | altLabel | [] | [{"@value":"Oestradiol mustard","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,727 | consensus_match | altLabel | [{"@value":"Oestradiol mustard","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | [{"@value":"Oestradiol mustard","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | group_key=estradiolmustard||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=22966-79-6; added Common Chemistry CAS names as altLabel: Acetic acid, [<em>p</em>-[bis(2-chloroethyl)amino]phenyl]-, diester with estradiol, Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-bis[4-[bis(2-chloroethyl)amino]benzeneacetate], Estra-1,3,5(10)-triene-3,17-diol (17β)-, bis[4-[bis(2-chloroethyl)amino]benzeneacetate], Estradiol, bis[[<em>p</em>-[bis(2-chloroethyl)amino]phenyl]acetate], NSC 112259; object_uuid=fo-49a25c5e9c1e65d7 |
| 266,728 | consensus_match | cas_match_labels | — | {"22966-79-6":"exactMatch"} | group_key=estradiolmustard||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'22966-79-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-49a25c5e9c1e65d7: {'22966-79-6': 'exactMatch'} |
| 286,078 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H50Cl4N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H50Cl4N… | rdkit_post_consensus from 'CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl'; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,504 | strip_catalogue_altlabels | altLabel | [{"@value":"Oestradiol mustard","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | [{"@value":"Oestradiol mustard","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | Removed 1 catalogue altLabel value(s): 'NSC 112259' (registry code) |
| 325,461 | 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 |
| 393,607 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H50Cl4N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H50Cl4N… | typed the way the ontology types it |
| 402,691 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 402,692 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H50Cl4N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C42H50Cl4N… | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/21682 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/21683 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/21684 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/88890 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/88891 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/220283 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/225991 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/246950 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/246951 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/246952 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/254023 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/257117 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/266727 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/266728 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/286078 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/291504 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/325461 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/393607 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/402691 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v19 |
| ef:activity/change/20260822T0600486828500000/402692 | properties | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-8faf-0050c2490048/v20 |