Pseudoephedrine hydrochloride
Everything that changed this flow. Back to the flow
c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b
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, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'CPDD 0050' (grade code), 'NSC 106567' (registry code), 'NSC 33634' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=345-78-8; cc_chebi_agreed_name='Pseudoephedrine hydrochloride'; object_uuid=fo-308fe0b460b793ac |
| cas_match_labels | 1 | consensus_match | group_key=(1s,2s)-2-(methylamino)-1-phenylpropan-1-olhydrochloride||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'345-78-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-308fe0b460b793ac: {'345-78-8': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['345-78-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_8604']; candidate_pubchem_cids=[8648, 9581, 62947, 92920, 202291, 6919175, 11041807, 24184227, 25137849]; selected_pubchem_cids=[25137849]; 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
23| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,966 | bootstrap_labels | prefLabel | — | [{"@value":"(1s,2s)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride","@language":"en","source":{"prov:wasGeneratedBy"… | Bootstrapped prefLabel from legacy name field |
| 5,967 | bootstrap_labels | name | (1s,2s)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride | — | Purged legacy name field to enforce prefLabel usage |
| 5,968 | bootstrap_labels | synonyms | ["organic","pseudoephedrinehydrochloride","(+)-pseudoephedrinehydrochloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 167,630 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 167,631 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 215,332 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,473 | normalize_name_case | prefLabel | [{"@value":"(1s,2s)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride","@language":"en","source":{"prov:wasGeneratedBy"… | [{"@value":"(1s,2s)-2-(methylamino)-1-phenylpropan-1-ol Hydrochloride","@language":"en","source":{"prov:wasGeneratedBy"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,918 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16ClNO… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,919 | enrich_references | skos_definition | — | [{"@value":"A hydrochloride that is the monohydrochloride salt of pseudoephedrine.","@language":"en","provenance":{"pro… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,920 | enrich_references | references | [] | [{"@id":"beilstein:3915112","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['345-78-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_8604']; candidate_pubchem_cids=[8648, 9581, 62947, 92920, 202291, 6919175, 11041807, 24184227, 25137849]; selected_pubchem_cids=[25137849]; 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 |
| 249,970 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16ClNO… | rdkit_pre_consensus from 'CN[C@@H](C)[C@@H](O)c1ccccc1.[Cl-].[H+]'; added: monoisotopic_mass |
| 255,125 | chebi_altlabels | altLabel | [] | [{"@value":"(+)-Pseudoephedrine hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 257,568 | consensus_match | prefLabel | [{"@value":"(1s,2s)-2-(methylamino)-1-phenylpropan-1-ol Hydrochloride","@language":"en","source":{"prov:wasGeneratedBy"… | [{"@value":"Pseudoephedrine hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | cas=345-78-8; cc_chebi_agreed_name='Pseudoephedrine hydrochloride'; object_uuid=fo-308fe0b460b793ac |
| 257,569 | consensus_match | altLabel | [{"@value":"(+)-Pseudoephedrine hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"(+)-Pseudoephedrine hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | cas=345-78-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-308fe0b460b793ac |
| 257,570 | consensus_match | altLabel | [{"@value":"(+)-Pseudoephedrine hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"(+)-Pseudoephedrine hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | group_key=(1s,2s)-2-(methylamino)-1-phenylpropan-1-olhydrochloride||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=345-78-8; added Common Chemistry CAS names as altLabel: (1S,2S)-(+)-2-(Methylamino)-1-phenylpropan-1-ol hydrochloride, 1<em>S</em>,2<em>S</em>-(+)-Pseudoephedrine hydrochloride, <em>d</em>-(1<em>S</em>,2<em>S</em>)-Pseudoephedrine hydrochloride, <em>d</em>-[α-(1-Methylamino)ethyl]benzyl alcohol hydrochloride, <span class="text-smallcaps">L</span>-(+)-Pseudoephedrine hydrochloride, Benzenemethanol, α-[(1<em>S</em>)-1-(methylamino)ethyl]-, hydrochloride (1:1), (α<em>S</em>)-, Benzenemethanol, α-[(1<em>S</em>)-1-(methylamino)ethyl]-, hydrochloride, (α<em>S</em>)-, Benzenemethanol, α-[1-(methylamino)ethyl]-, hydrochloride, [<em>S</em>-(<em>R</em>*,<em>R</em>*)]-, CPDD 0050, Decongess SR, Galpseud, NSC 106567, NSC 33634, Novafed, Otrinol, Pseudoephedrine, hydrochloride, (+)-, Rhinalair, Sinufed, Sudafed, Symptom 2; object_uuid=fo-308fe0b460b793ac |
| 257,571 | consensus_match | cas_match_labels | — | {"345-78-8":"exactMatch"} | group_key=(1s,2s)-2-(methylamino)-1-phenylpropan-1-olhydrochloride||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'345-78-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-308fe0b460b793ac: {'345-78-8': 'exactMatch'} |
| 275,102 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16ClNO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(1s,2s)-2-(methylamino)-1-phenylpropan-1-ol Hydrochloride' |
| 281,599 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16ClNO… | rdkit_post_consensus from 'CN[C@@H](C)[C@@H](O)c1ccccc1.Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,470 | strip_catalogue_altlabels | altLabel | [{"@value":"(+)-Pseudoephedrine hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | [{"@value":"(+)-Pseudoephedrine hydrochloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov… | Removed 3 catalogue altLabel value(s): 'CPDD 0050' (grade code), 'NSC 106567' (registry code), 'NSC 33634' (registry code) |
| 364,841 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c70b95e1-3d59-… | associations resolved on the elementary layer |
| 389,410 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16ClNO… | typed the way the ontology types it |
| 396,551 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
| 396,552 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16ClNO… | the substance's answer, copied onto its flow |
PROV-O trail
23 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/20260821T1554374006150000/5966 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v0 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v1 |
| ef:activity/change/20260821T1554374006150000/5967 | name | ef:agent/bootstrap_labels | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v1 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v2 |
| ef:activity/change/20260821T1554374006150000/5968 | synonyms | ef:agent/bootstrap_labels | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v2 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v3 |
| ef:activity/change/20260821T1554374006150000/167630 | context | ef:agent/default_context_mapping | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v3 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v4 |
| ef:activity/change/20260821T1554374006150000/167631 | context_iri | ef:agent/default_context_mapping | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v4 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v5 |
| ef:activity/change/20260821T1554374006150000/215332 | unit_iri | ef:agent/unit_normalization | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v5 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v6 |
| ef:activity/change/20260821T1554374006150000/222473 | prefLabel | ef:agent/normalize_name_case | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v6 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v7 |
| ef:activity/change/20260821T1554374006150000/232918 | properties | ef:agent/enrich_references | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v7 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v8 |
| ef:activity/change/20260821T1554374006150000/232919 | skos_definition | ef:agent/enrich_references | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v8 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v9 |
| ef:activity/change/20260821T1554374006150000/232920 | references | ef:agent/enrich_references | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v9 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v10 |
| ef:activity/change/20260821T1554374006150000/249970 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v10 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v11 |
| ef:activity/change/20260821T1554374006150000/255125 | altLabel | ef:agent/chebi_altlabels | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v11 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v12 |
| ef:activity/change/20260821T1554374006150000/257568 | prefLabel | ef:agent/consensus_match | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v12 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v13 |
| ef:activity/change/20260821T1554374006150000/257569 | altLabel | ef:agent/consensus_match | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v13 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v14 |
| ef:activity/change/20260821T1554374006150000/257570 | altLabel | ef:agent/consensus_match | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v14 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v15 |
| ef:activity/change/20260821T1554374006150000/257571 | cas_match_labels | ef:agent/consensus_match | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v15 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v16 |
| ef:activity/change/20260821T1554374006150000/275102 | properties | ef:agent/opsin_iupac | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v16 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v17 |
| ef:activity/change/20260821T1554374006150000/281599 | properties | ef:agent/rdkit_post_consensus | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v17 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v18 |
| ef:activity/change/20260821T1554374006150000/288470 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v18 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v19 |
| ef:activity/change/20260821T1554374006150000/364841 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v19 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v20 |
| ef:activity/change/20260821T1554374006150000/389410 | properties | ef:agent/normalise_property_values | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v20 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v21 |
| ef:activity/change/20260821T1554374006150000/396551 | types | ef:agent/link_flows_to_their_substance | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v21 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v22 |
| ef:activity/change/20260821T1554374006150000/396552 | properties | ef:agent/link_flows_to_their_substance | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v22 | ef:flow/c70b95e1-3d59-4ad6-8a1c-4c75a5ff7a9b/v23 |