Metoprolol
Everything that changed this flow. Back to the flow
6e8c78bc-f170-4450-8bf2-fc00e10854fa
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'CGP 2175' (grade code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=51384-51-1; cc_chebi_agreed_name='Metoprolol'; object_uuid=fo-a21c081903a8657d |
| cas_match_labels | 1 | consensus_match | group_key=1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'51384-51-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a21c081903a8657d: {'51384-51-1': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['51384-51-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_6904']; candidate_pubchem_cids=[4171, 157717, 5702086]; selected_pubchem_cids=[4171]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,851 | bootstrap_labels | prefLabel | — | [{"@value":"1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol","@language":"en","source":{"prov:wasGeneratedB… | Bootstrapped prefLabel from legacy name field |
| 12,852 | bootstrap_labels | name | 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol | — | Purged legacy name field to enforce prefLabel usage |
| 12,853 | bootstrap_labels | synonyms | ["organic","1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 115,646 | 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 |
| 115,647 | 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 |
| 217,588 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 239,378 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H25NO3"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 239,379 | enrich_references | skos_definition | — | [{"@value":"A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at… | Merged ChEBI/PubChem definitions into skos:definition |
| 239,380 | enrich_references | references | [] | [{"@id":"drugcentral:1786","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['51384-51-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_6904']; candidate_pubchem_cids=[4171, 157717, 5702086]; selected_pubchem_cids=[4171]; 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 |
| 251,822 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H25NO3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H25NO3"… | rdkit_pre_consensus from 'CC(C)NCC(COC1=CC=C(C=C1)CCOC)O'; added: monoisotopic_mass |
| 256,145 | chebi_altlabels | altLabel | [] | [{"@value":"(RS)-Metoprolol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 258,889 | consensus_match | prefLabel | [{"@value":"1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol","@language":"en","source":{"prov:wasGeneratedB… | [{"@value":"Metoprolol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"cons… | cas=51384-51-1; cc_chebi_agreed_name='Metoprolol'; object_uuid=fo-a21c081903a8657d |
| 258,890 | consensus_match | altLabel | [{"@value":"(RS)-Metoprolol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"(RS)-Metoprolol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | cas=51384-51-1; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-a21c081903a8657d |
| 258,891 | consensus_match | altLabel | [{"@value":"(RS)-Metoprolol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"(RS)-Metoprolol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | group_key=1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol||dimension=Environmental > media=Water > water_body=Unknown; cas=51384-51-1; added Common Chemistry CAS names as altLabel: (±)-Metoprolol, 1-Isopropylamino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol, 1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol, 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, <em>dl</em>-Metoprolol, Beatrolol, CGP 2175, MeSH ID: D008790, Meijoprolol, Metocard, Seroken, Spesicor, Toprol, Vazocardin, [2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl](propan-2-yl)amine; object_uuid=fo-a21c081903a8657d |
| 258,892 | consensus_match | cas_match_labels | — | {"51384-51-1":"exactMatch"} | group_key=1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'51384-51-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a21c081903a8657d: {'51384-51-1': 'exactMatch'} |
| 277,014 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H25NO3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H25NO3"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol' |
| 283,666 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H25NO3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H25NO3"… | rdkit_post_consensus from 'COCCc1ccc(OCC(O)CNC(C)C)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,899 | strip_catalogue_altlabels | altLabel | [{"@value":"(RS)-Metoprolol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"(RS)-Metoprolol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Removed 1 catalogue altLabel value(s): 'CGP 2175' (grade code) |
| 338,822 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6e8c78bc-f170-… | associations resolved on the elementary layer |
| 391,366 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H25NO3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C15H25NO3"… | typed the way the ontology types it |
| 399,366 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 399,367 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_78298","rdfs:label":"environmental contaminant","http://www.w3.org/2004/0… | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260822T0600486828500000/12851 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v0 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v1 |
| ef:activity/change/20260822T0600486828500000/12852 | name | ef:agent/bootstrap_labels | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v1 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v2 |
| ef:activity/change/20260822T0600486828500000/12853 | synonyms | ef:agent/bootstrap_labels | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v2 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v3 |
| ef:activity/change/20260822T0600486828500000/115646 | context | ef:agent/default_context_mapping | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v3 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v4 |
| ef:activity/change/20260822T0600486828500000/115647 | context_iri | ef:agent/default_context_mapping | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v4 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v5 |
| ef:activity/change/20260822T0600486828500000/217588 | unit_iri | ef:agent/unit_normalization | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v5 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v6 |
| ef:activity/change/20260822T0600486828500000/239378 | properties | ef:agent/enrich_references | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v6 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v7 |
| ef:activity/change/20260822T0600486828500000/239379 | skos_definition | ef:agent/enrich_references | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v7 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v8 |
| ef:activity/change/20260822T0600486828500000/239380 | references | ef:agent/enrich_references | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v8 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v9 |
| ef:activity/change/20260822T0600486828500000/251822 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v9 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v10 |
| ef:activity/change/20260822T0600486828500000/256145 | altLabel | ef:agent/chebi_altlabels | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v10 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v11 |
| ef:activity/change/20260822T0600486828500000/258889 | prefLabel | ef:agent/consensus_match | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v11 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v12 |
| ef:activity/change/20260822T0600486828500000/258890 | altLabel | ef:agent/consensus_match | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v12 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v13 |
| ef:activity/change/20260822T0600486828500000/258891 | altLabel | ef:agent/consensus_match | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v13 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v14 |
| ef:activity/change/20260822T0600486828500000/258892 | cas_match_labels | ef:agent/consensus_match | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v14 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v15 |
| ef:activity/change/20260822T0600486828500000/277014 | properties | ef:agent/opsin_iupac | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v15 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v16 |
| ef:activity/change/20260822T0600486828500000/283666 | properties | ef:agent/rdkit_post_consensus | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v16 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v17 |
| ef:activity/change/20260822T0600486828500000/289899 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v17 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v18 |
| ef:activity/change/20260822T0600486828500000/338822 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v18 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v19 |
| ef:activity/change/20260822T0600486828500000/391366 | properties | ef:agent/normalise_property_values | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v19 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v20 |
| ef:activity/change/20260822T0600486828500000/399366 | types | ef:agent/link_flows_to_their_substance | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v20 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v21 |
| ef:activity/change/20260822T0600486828500000/399367 | roles | ef:agent/link_flows_to_their_substance | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v21 | ef:flow/6e8c78bc-f170-4450-8bf2-fc00e10854fa/v22 |