Pseudoephedrine
Everything that changed this flow. Back to the flow
e7cee229-fb5d-4142-8577-9c800782e247
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 | 4 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=90-82-4; cc_chebi_agreed_name='Pseudoephedrine'; object_uuid=fo-44807feed9a74857 |
| cas_match_labels | 1 | consensus_match | group_key=2-(methylamino)-1-phenylpropan-1-ol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'90-82-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-44807feed9a74857: {'90-82-4': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['90-82-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_51209']; candidate_pubchem_cids=[5032, 7028, 2733989, 6919175]; selected_pubchem_cids=[7028]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,852 | bootstrap_labels | prefLabel | — | [{"@value":"2-(methylamino)-1-phenylpropan-1-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 5,853 | bootstrap_labels | name | 2-(methylamino)-1-phenylpropan-1-ol | — | Purged legacy name field to enforce prefLabel usage |
| 5,854 | bootstrap_labels | synonyms | ["organic","pseudoephedrine"] | [] | Removed legacy synonyms field in favor of structured labels |
| 188,560 | 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 |
| 188,561 | 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 |
| 215,293 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 232,811 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,812 | enrich_references | skos_definition | — | [{"@value":"A member of the class of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol i… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,813 | enrich_references | references | [] | [{"@id":"drugcentral:2326","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['90-82-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_51209']; candidate_pubchem_cids=[5032, 7028, 2733989, 6919175]; selected_pubchem_cids=[7028]; 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 |
| 249,937 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | rdkit_pre_consensus from 'CC(C(C1=CC=CC=C1)O)NC'; added: inchi2d_string, monoisotopic_mass |
| 255,115 | chebi_altlabels | altLabel | [] | [{"@value":"(+) threo-2-(methylamino)-1-phenyl-1-propanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altl… | Added 25 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,358 | consensus_match | prefLabel | [{"@value":"2-(methylamino)-1-phenylpropan-1-ol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | [{"@value":"Pseudoephedrine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=90-82-4; cc_chebi_agreed_name='Pseudoephedrine'; object_uuid=fo-44807feed9a74857 |
| 260,359 | consensus_match | altLabel | [{"@value":"(+) threo-2-(methylamino)-1-phenyl-1-propanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altl… | [{"@value":"(+) threo-2-(methylamino)-1-phenyl-1-propanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altl… | cas=90-82-4; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-44807feed9a74857 |
| 260,360 | consensus_match | altLabel | [{"@value":"(+) threo-2-(methylamino)-1-phenyl-1-propanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altl… | [{"@value":"(+) threo-2-(methylamino)-1-phenyl-1-propanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altl… | group_key=2-(methylamino)-1-phenylpropan-1-ol||dimension=Environmental > media=Air > strata=Unknown; cas=90-82-4; added Common Chemistry CAS names as altLabel: (+)-ψ-Ephedrine, (1<em>S</em>,2<em>S</em>)-Ephedrine, (<em>S</em>,<em>S</em>)-2-Methylamino-1-phenylpropan-1-ol, (α<em>S</em>)-α-[(1<em>S</em>)-1-(Methylamino)ethyl]benzenemethanol, <em>d</em>-ψ-Ephedrine, <span class="text-smallcaps">L</span>(+)-ψ-Ephedrine, Benzenemethanol, α-[(1<em>S</em>)-1-(methylamino)ethyl]-, (α<em>S</em>)-, Benzenemethanol, α-[1-(methylamino)ethyl]-, [<em>S</em>-(<em>R</em>*,<em>R</em>*)]-, Lopac E 3250, MeSH ID: D054199, Pseudoephedrine, (+)-, ψ-Ephedrine, ψ-Ephedrine, (+)-; object_uuid=fo-44807feed9a74857 |
| 260,361 | consensus_match | cas_match_labels | — | {"90-82-4":"exactMatch"} | group_key=2-(methylamino)-1-phenylpropan-1-ol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'90-82-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-44807feed9a74857: {'90-82-4': 'exactMatch'} |
| 275,072 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol' |
| 281,566 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | rdkit_post_consensus from 'CN[C@@H](C)[C@@H](O)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,292 | dedupe_altlabels | altLabel | [{"@value":"(+) threo-2-(methylamino)-1-phenyl-1-propanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altl… | [{"@value":"(+) threo-2-(methylamino)-1-phenyl-1-propanol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altl… | Deduplicated altLabel values and removed entries matching prefLabel |
| 375,308 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e7cee229-fb5d-… | associations resolved on the elementary layer |
| 389,381 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | typed the way the ontology types it |
| 396,502 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 396,503 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO"]… | 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/20260821T1554374006150000/5852 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v0 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v1 |
| ef:activity/change/20260821T1554374006150000/5853 | name | ef:agent/bootstrap_labels | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v1 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v2 |
| ef:activity/change/20260821T1554374006150000/5854 | synonyms | ef:agent/bootstrap_labels | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v2 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v3 |
| ef:activity/change/20260821T1554374006150000/188560 | context | ef:agent/default_context_mapping | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v3 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v4 |
| ef:activity/change/20260821T1554374006150000/188561 | context_iri | ef:agent/default_context_mapping | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v4 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v5 |
| ef:activity/change/20260821T1554374006150000/215293 | unit_iri | ef:agent/unit_normalization | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v5 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v6 |
| ef:activity/change/20260821T1554374006150000/232811 | properties | ef:agent/enrich_references | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v6 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v7 |
| ef:activity/change/20260821T1554374006150000/232812 | skos_definition | ef:agent/enrich_references | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v7 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v8 |
| ef:activity/change/20260821T1554374006150000/232813 | references | ef:agent/enrich_references | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v8 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v9 |
| ef:activity/change/20260821T1554374006150000/249937 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v9 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v10 |
| ef:activity/change/20260821T1554374006150000/255115 | altLabel | ef:agent/chebi_altlabels | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v10 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v11 |
| ef:activity/change/20260821T1554374006150000/260358 | prefLabel | ef:agent/consensus_match | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v11 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v12 |
| ef:activity/change/20260821T1554374006150000/260359 | altLabel | ef:agent/consensus_match | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v12 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v13 |
| ef:activity/change/20260821T1554374006150000/260360 | altLabel | ef:agent/consensus_match | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v13 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v14 |
| ef:activity/change/20260821T1554374006150000/260361 | cas_match_labels | ef:agent/consensus_match | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v14 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v15 |
| ef:activity/change/20260821T1554374006150000/275072 | properties | ef:agent/opsin_iupac | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v15 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v16 |
| ef:activity/change/20260821T1554374006150000/281566 | properties | ef:agent/rdkit_post_consensus | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v16 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v17 |
| ef:activity/change/20260821T1554374006150000/292292 | altLabel | ef:agent/dedupe_altlabels | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v17 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v18 |
| ef:activity/change/20260821T1554374006150000/375308 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v18 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v19 |
| ef:activity/change/20260821T1554374006150000/389381 | properties | ef:agent/normalise_property_values | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v19 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v20 |
| ef:activity/change/20260821T1554374006150000/396502 | types | ef:agent/link_flows_to_their_substance | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v20 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v21 |
| ef:activity/change/20260821T1554374006150000/396503 | properties | ef:agent/link_flows_to_their_substance | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v21 | ef:flow/e7cee229-fb5d-4142-8577-9c800782e247/v22 |