(1r,2s)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride
Everything that changed this flow. Back to the flow
fcb1ca70-83be-4702-904e-88ce784f2701
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): 'CPDD 0047' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=(1r,2s)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory']; cas_sources={'50-98-6': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-9b887af8a58058d5: {'50-98-6': '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 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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['50-98-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_31541']; candidate_pubchem_cids=[8648, 65326, 71290, 6922965, 16667682]; selected_pubchem_cids=[65326]; 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 |
|---|---|---|---|---|---|
| 20,411 | bootstrap_labels | prefLabel | — | [{"@value":"(1r,2s)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride","@language":"en","source":{"prov:wasGeneratedBy"… | Bootstrapped prefLabel from legacy name field |
| 20,412 | bootstrap_labels | name | (1r,2s)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride | — | Purged legacy name field to enforce prefLabel usage |
| 20,413 | bootstrap_labels | synonyms | ["organic","ephedrinehydrochloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 201,562 | 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) |
| 201,563 | 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) |
| 219,956 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 246,049 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO.H… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,050 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,051 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.000.068","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['50-98-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_31541']; candidate_pubchem_cids=[8648, 65326, 71290, 6922965, 16667682]; selected_pubchem_cids=[65326]; 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 |
| 253,764 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO.H… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO.H… | rdkit_pre_consensus from 'CC(C(C1=CC=CC=C1)O)NC.Cl'; added: inchi2d_string, monoisotopic_mass |
| 257,013 | chebi_altlabels | altLabel | [] | [{"@value":"Ephedrine (TN)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 257,561 | consensus_match | altLabel | [{"@value":"Ephedrine (TN)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"Ephedrine (TN)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | group_key=(1r,2s)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride||dimension=Environmental > media=Water > water_body=Surface water; cas=50-98-6; added Common Chemistry CAS names as altLabel: (-)-Ephedrin hydrochloride, (-)-Ephedrine hydrochloride, (1<em>R</em>,2<em>S</em>)-(-)-2-Ephedrinium hydrochloride, (1<em>R</em>,2<em>S</em>)-(-)-Ephedrine hydrochloride, (1<em>R</em>,2<em>S</em>)-Ephedrine hydrochloride, <em>l</em>-Ephedrine hydrochloride, <em>l</em>-α-[1-(Methylamino)ethyl]benzyl alcohol hydrochloride, <span class="text-smallcaps">L</span>-<em>erythro</em>-Ephedrine hydrochloride, Altusin, Benzenemethanol, α-[(1<em>S</em>)-1-(methylamino)ethyl]-, hydrochloride (1:1), (α<em>R</em>)-, Benzenemethanol, α-[(1<em>S</em>)-1-(methylamino)ethyl]-, hydrochloride, (α<em>R</em>)-, Benzenemethanol, α-[1-(methylamino)ethyl]-, hydrochloride, [<em>R</em>-(<em>R</em>*,<em>S</em>*)]-, CPDD 0047, Enurace, Ephedral, Ephedrine, hydrochloride, (-)-, Ephedrinium chloride, Ephedronguent, Sanedrine; object_uuid=fo-9b887af8a58058d5 |
| 257,562 | consensus_match | cas_match_labels | — | {"50-98-6":"exactMatch"} | group_key=(1r,2s)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory']; cas_sources={'50-98-6': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-9b887af8a58058d5: {'50-98-6': 'exactMatch'} |
| 285,801 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO.H… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO.H… | rdkit_post_consensus from 'CC(C(C1=CC=CC=C1)O)NC.Cl'; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,343 | strip_catalogue_altlabels | altLabel | [{"@value":"Ephedrine (TN)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"Ephedrine (TN)","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Removed 1 catalogue altLabel value(s): 'CPDD 0047' (grade code) |
| 381,835 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fcb1ca70-83be-… | associations resolved on the elementary layer |
| 393,366 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO.H… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO.H… | typed the way the ontology types it |
| 402,279 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
| 402,280 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO.H… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO.H… | 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/20260820T0738569779880000/20411 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v0 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v1 |
| ef:activity/change/20260820T0738569779880000/20412 | name | ef:agent/bootstrap_labels | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v1 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v2 |
| ef:activity/change/20260820T0738569779880000/20413 | synonyms | ef:agent/bootstrap_labels | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v2 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v3 |
| ef:activity/change/20260820T0738569779880000/201562 | context | ef:agent/default_context_mapping | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v3 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v4 |
| ef:activity/change/20260820T0738569779880000/201563 | context_iri | ef:agent/default_context_mapping | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v4 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v5 |
| ef:activity/change/20260820T0738569779880000/219956 | unit_iri | ef:agent/unit_normalization | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v5 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v6 |
| ef:activity/change/20260820T0738569779880000/246049 | properties | ef:agent/enrich_references | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v6 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v7 |
| ef:activity/change/20260820T0738569779880000/246050 | skos_definition | ef:agent/enrich_references | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v7 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v8 |
| ef:activity/change/20260820T0738569779880000/246051 | references | ef:agent/enrich_references | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v8 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v9 |
| ef:activity/change/20260820T0738569779880000/253764 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v9 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v10 |
| ef:activity/change/20260820T0738569779880000/257013 | altLabel | ef:agent/chebi_altlabels | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v10 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v11 |
| ef:activity/change/20260820T0738569779880000/257561 | altLabel | ef:agent/consensus_match | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v11 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v12 |
| ef:activity/change/20260820T0738569779880000/257562 | cas_match_labels | ef:agent/consensus_match | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v12 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v13 |
| ef:activity/change/20260820T0738569779880000/285801 | properties | ef:agent/rdkit_post_consensus | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v13 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v14 |
| ef:activity/change/20260820T0738569779880000/291343 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v14 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v15 |
| ef:activity/change/20260820T0738569779880000/381835 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v15 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v16 |
| ef:activity/change/20260820T0738569779880000/393366 | properties | ef:agent/normalise_property_values | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v16 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v17 |
| ef:activity/change/20260820T0738569779880000/402279 | types | ef:agent/link_flows_to_their_substance | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v17 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v18 |
| ef:activity/change/20260820T0738569779880000/402280 | properties | ef:agent/link_flows_to_their_substance | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v18 | ef:flow/fcb1ca70-83be-4702-904e-88ce784f2701/v19 |