Astemizole
Everything that changed this flow. Back to the flow
1d787808-2da7-442a-9708-f448f091943b
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 329963' (registry code), 'R 43512' (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=astemizole||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'68844-77-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-202ebf21930446ca: {'68844-77-9': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['68844-77-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_2896']; candidate_pubchem_cids=[2247]; selected_pubchem_cids=[2247]; 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 |
|---|---|---|---|---|---|
| 11,470 | bootstrap_labels | prefLabel | — | [{"@value":"astemizole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Bootstrapped prefLabel from legacy name field |
| 11,471 | bootstrap_labels | name | astemizole | — | Purged legacy name field to enforce prefLabel usage |
| 11,472 | bootstrap_labels | synonyms | ["organic","astemizole"] | [] | Removed legacy synonyms field in favor of structured labels |
| 55,766 | 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) |
| 55,767 | 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) |
| 217,142 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,769 | normalize_name_case | prefLabel | [{"@value":"astemizole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Astemizole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,091 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H31FN4O… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,092 | enrich_references | skos_definition | — | [{"@value":"A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)b… | Merged ChEBI/PubChem definitions into skos:definition |
| 238,093 | enrich_references | references | [] | [{"@id":"beilstein:4830190","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['68844-77-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_2896']; candidate_pubchem_cids=[2247]; selected_pubchem_cids=[2247]; 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 |
| 255,972 | chebi_altlabels | altLabel | [] | [{"@value":"1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine","@language":"en"… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,956 | consensus_match | altLabel | [{"@value":"1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine","@language":"en"… | [{"@value":"1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine","@language":"en"… | group_key=astemizole||dimension=Environmental > media=Water > water_body=Surface water; cas=68844-77-9; added Common Chemistry CAS names as altLabel: 1-(4-Fluorobenzyl)-2-(1-(4-methoxyphenethyl)piperidin-4-yl)aminobenzimidazole, 1-[(4-Fluorophenyl)methyl]-<em>N</em>-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1<em>H</em>-benzimidazol-2-amine, 1<em>H</em>-Benzimidazol-2-amine, 1-[(4-fluorophenyl)methyl]-<em>N</em>-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-, Astemisan, Hismanal, Histamen, Histaminos, Histazol, Kelp, Laridal, MeSH ID: D016589, Metodik, NSC 329963, Novo-Nastizol A, Paralergin, R 43512, Retolen, Stemiz, Waruzol; object_uuid=fo-202ebf21930446ca |
| 263,957 | consensus_match | cas_match_labels | — | {"68844-77-9":"exactMatch"} | group_key=astemizole||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'68844-77-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-202ebf21930446ca: {'68844-77-9': 'exactMatch'} |
| 276,630 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H31FN4O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H31FN4O… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine' |
| 283,255 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H31FN4O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H31FN4O… | rdkit_post_consensus from 'COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,622 | strip_catalogue_altlabels | altLabel | [{"@value":"1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine","@language":"en"… | [{"@value":"1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine","@language":"en"… | Removed 2 catalogue altLabel value(s): 'NSC 329963' (registry code), 'R 43512' (grade code) |
| 308,911 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1d787808-2da7-… | associations resolved on the elementary layer |
| 390,987 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H31FN4O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C28H31FN4O… | typed the way the ontology types it |
| 398,837 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1554374006150000/11470 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v0 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v1 |
| ef:activity/change/20260821T1554374006150000/11471 | name | ef:agent/bootstrap_labels | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v1 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v2 |
| ef:activity/change/20260821T1554374006150000/11472 | synonyms | ef:agent/bootstrap_labels | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v2 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v3 |
| ef:activity/change/20260821T1554374006150000/55766 | context | ef:agent/default_context_mapping | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v3 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v4 |
| ef:activity/change/20260821T1554374006150000/55767 | context_iri | ef:agent/default_context_mapping | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v4 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v5 |
| ef:activity/change/20260821T1554374006150000/217142 | unit_iri | ef:agent/unit_normalization | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v5 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v6 |
| ef:activity/change/20260821T1554374006150000/223769 | prefLabel | ef:agent/normalize_name_case | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v6 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v7 |
| ef:activity/change/20260821T1554374006150000/238091 | properties | ef:agent/enrich_references | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v7 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v8 |
| ef:activity/change/20260821T1554374006150000/238092 | skos_definition | ef:agent/enrich_references | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v8 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v9 |
| ef:activity/change/20260821T1554374006150000/238093 | references | ef:agent/enrich_references | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v9 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v10 |
| ef:activity/change/20260821T1554374006150000/255972 | altLabel | ef:agent/chebi_altlabels | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v10 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v11 |
| ef:activity/change/20260821T1554374006150000/263956 | altLabel | ef:agent/consensus_match | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v11 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v12 |
| ef:activity/change/20260821T1554374006150000/263957 | cas_match_labels | ef:agent/consensus_match | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v12 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v13 |
| ef:activity/change/20260821T1554374006150000/276630 | properties | ef:agent/opsin_iupac | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v13 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v14 |
| ef:activity/change/20260821T1554374006150000/283255 | properties | ef:agent/rdkit_post_consensus | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v14 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v15 |
| ef:activity/change/20260821T1554374006150000/289622 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v15 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v16 |
| ef:activity/change/20260821T1554374006150000/308911 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v16 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v17 |
| ef:activity/change/20260821T1554374006150000/390987 | properties | ef:agent/normalise_property_values | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v17 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v18 |
| ef:activity/change/20260821T1554374006150000/398837 | types | ef:agent/link_flows_to_their_substance | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v18 | ef:flow/1d787808-2da7-442a-9708-f448f091943b/v19 |