(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol Hydrochloride
Everything that changed this flow. Back to the flow
5550fa83-879b-4bd2-9d65-c3aeb9347dcc
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 | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanolhydrochloride||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['pubchem']; cas_sources={'521284-22-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e4bc2b5d140c1581: {'521284-22-0': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['521284-22-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[521284, 18521720, 52953007, 67020338, 75972284, 91885057]; selected_pubchem_cids=[52953007]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 13,521 | bootstrap_labels | prefLabel | — | [{"@value":"(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol hydrochloride","@language":"en","source":{"prov:wasG… | Bootstrapped prefLabel from legacy name field |
| 13,522 | bootstrap_labels | name | (1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol hydrochloride | — | Purged legacy name field to enforce prefLabel usage |
| 13,523 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 100,574 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 100,575 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 217,811 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,229 | normalize_name_case | prefLabel | [{"@value":"(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol hydrochloride","@language":"en","source":{"prov:wasG… | [{"@value":"(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol Hydrochloride","@language":"en","source":{"prov:wasG… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,998 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H21ClN2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,999 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,000 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=521284-22-0","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['521284-22-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[521284, 18521720, 52953007, 67020338, 75972284, 91885057]; selected_pubchem_cids=[52953007]; 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 |
| 252,010 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H21ClN2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H21ClN2… | rdkit_pre_consensus from 'C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)N)O.Cl'; added: inchi2d_string, molecular_mass, monoisotopic_mass |
| 257,553 | consensus_match | altLabel | [] | [{"@value":"(<em>R</em>)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride","@language":"en","source":{"pro… | group_key=(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanolhydrochloride||dimension=Environmental > media=Water > water_body=Long-term; cas=521284-22-0; added Common Chemistry CAS names as altLabel: (<em>R</em>)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride, (<em>R</em>)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol monohydrochloride, (R)-2-(4-Aminophenethylamino)-1-phenylethanol hydrochloride, (R)-2-[(2-(4-Aminophenyl)ethyl)amino]-1-phenylethanol monohydrochloride, (R)-2-[[2-(4-Aminophenyl)ethyl]amino]-1-phenylethanol hydrochloride, Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, hydrochloride (1:1), (α<em>R</em>)-, Benzenemethanol, α-[[[2-(4-aminophenyl)ethyl]amino]methyl]-, monohydrochloride, (α<em>R</em>)-, YM 208876; object_uuid=fo-e4bc2b5d140c1581 |
| 257,554 | consensus_match | cas_match_labels | — | {"521284-22-0":"exactMatch"} | group_key=(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanolhydrochloride||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['pubchem']; cas_sources={'521284-22-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e4bc2b5d140c1581: {'521284-22-0': 'exactMatch'} |
| 277,222 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H21ClN2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H21ClN2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(1r)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol Hydrochloride' |
| 283,884 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H21ClN2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H21ClN2… | rdkit_post_consensus from 'Cl.Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,719 | dedupe_altlabels | altLabel | [{"@value":"(<em>R</em>)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride","@language":"en","source":{"pro… | [{"@value":"(R)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride","@language":"en","source":{"prov:wasGene… | Deduplicated altLabel values and removed entries matching prefLabel |
| 331,304 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5550fa83-879b-… | associations resolved on the elementary layer |
| 391,571 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H21ClN2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H21ClN2… | typed the way the ontology types it |
| 399,659 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
| 399,660 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H21ClN2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H21ClN2… | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T0738569779880000/13521 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v0 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v1 |
| ef:activity/change/20260820T0738569779880000/13522 | name | ef:agent/bootstrap_labels | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v1 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v2 |
| ef:activity/change/20260820T0738569779880000/13523 | synonyms | ef:agent/bootstrap_labels | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v2 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v3 |
| ef:activity/change/20260820T0738569779880000/100574 | context | ef:agent/default_context_mapping | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v3 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v4 |
| ef:activity/change/20260820T0738569779880000/100575 | context_iri | ef:agent/default_context_mapping | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v4 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v5 |
| ef:activity/change/20260820T0738569779880000/217811 | unit_iri | ef:agent/unit_normalization | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v5 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v6 |
| ef:activity/change/20260820T0738569779880000/224229 | prefLabel | ef:agent/normalize_name_case | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v6 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v7 |
| ef:activity/change/20260820T0738569779880000/239998 | properties | ef:agent/enrich_references | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v7 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v8 |
| ef:activity/change/20260820T0738569779880000/239999 | skos_definition | ef:agent/enrich_references | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v8 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v9 |
| ef:activity/change/20260820T0738569779880000/240000 | references | ef:agent/enrich_references | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v9 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v10 |
| ef:activity/change/20260820T0738569779880000/252010 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v10 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v11 |
| ef:activity/change/20260820T0738569779880000/257553 | altLabel | ef:agent/consensus_match | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v11 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v12 |
| ef:activity/change/20260820T0738569779880000/257554 | cas_match_labels | ef:agent/consensus_match | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v12 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v13 |
| ef:activity/change/20260820T0738569779880000/277222 | properties | ef:agent/opsin_iupac | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v13 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v14 |
| ef:activity/change/20260820T0738569779880000/283884 | properties | ef:agent/rdkit_post_consensus | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v14 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v15 |
| ef:activity/change/20260820T0738569779880000/292719 | altLabel | ef:agent/dedupe_altlabels | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v15 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v16 |
| ef:activity/change/20260820T0738569779880000/331304 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v16 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v17 |
| ef:activity/change/20260820T0738569779880000/391571 | properties | ef:agent/normalise_property_values | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v17 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v18 |
| ef:activity/change/20260820T0738569779880000/399659 | types | ef:agent/link_flows_to_their_substance | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v18 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v19 |
| ef:activity/change/20260820T0738569779880000/399660 | properties | ef:agent/link_flows_to_their_substance | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v19 | ef:flow/5550fa83-879b-4bd2-9d65-c3aeb9347dcc/v20 |