3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenol Hydrochloride (1:1)
Everything that changed this flow. Back to the flow
ae0979e0-473b-4c46-b751-05258de92f69
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 | 3 | chebi_altlabels, 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=3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenolhydrochloride(1:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'61-76-7': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dd51b2fb263582a9: {'61-76-7': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['61-76-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_8094']; candidate_pubchem_cids=[6041, 6102, 13653, 99823, 657210, 5284443, 6926378, 12303426, 16745125, 21703232, 46782733, 67108212]; selected_pubchem_cids=[657210]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,705 | bootstrap_labels | prefLabel | — | [{"@value":"3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride (1:1)","@language":"en","source":{"prov:wasGene… | Bootstrapped prefLabel from legacy name field |
| 14,706 | bootstrap_labels | name | 3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride (1:1) | — | Purged legacy name field to enforce prefLabel usage |
| 14,707 | bootstrap_labels | synonyms | ["organic","phenylephrinehydrochloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 153,368 | 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) |
| 153,369 | 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) |
| 218,188 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,488 | normalize_name_case | prefLabel | [{"@value":"3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride (1:1)","@language":"en","source":{"prov:wasGene… | [{"@value":"3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenol Hydrochloride (1:1)","@language":"en","source":{"prov:wasGene… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,091 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClNO2… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 241,092 | enrich_references | skos_definition | — | [{"@value":"A hydrochloride that is the monohydrochloride salt of phenylephrine.","@language":"en","provenance":{"prov:… | Merged ChEBI/PubChem definitions into skos:definition |
| 241,093 | enrich_references | references | [] | [{"@id":"beilstein:4158948","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['61-76-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_8094']; candidate_pubchem_cids=[6041, 6102, 13653, 99823, 657210, 5284443, 6926378, 12303426, 16745125, 21703232, 46782733, 67108212]; selected_pubchem_cids=[657210]; 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 |
| 252,322 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClNO2… | rdkit_pre_consensus from 'CNC[C@H](O)c1cccc(O)c1.[Cl-].[H+]'; added: monoisotopic_mass |
| 256,346 | chebi_altlabels | altLabel | [] | [{"@value":"3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride","@language":"en","source":{"prov:wasGeneratedB… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,838 | consensus_match | altLabel | [{"@value":"3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride","@language":"en","source":{"prov:wasGeneratedB… | [{"@value":"3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride","@language":"en","source":{"prov:wasGeneratedB… | group_key=3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenolhydrochloride(1:1)||dimension=Environmental > media=Ground > geography=Unknown; cas=61-76-7; added Common Chemistry CAS names as altLabel: (-)-Phenylephrine hydrochloride, (-)-α-Hydroxy-β-(methylamino)ethyl-α-(3-hydroxybenzene)hydrochloride, (<em>R</em>)-Phenylephrine hydrochloride, (R)-3-(1-Hydroxy-2-(methylamino)ethyl)phenol hydrochloride, <em>R</em>-(-)-<em>m</em>-Synephrine hydrochloride, <em>l</em>-1-(<em>m</em>-Hydroxyphenyl)-2-methylaminoethanol hydrochloride, <em>l</em>-<em>m</em>-Hydroxy-α-[(methylamino)methyl]benzyl alcohol hydrochloride, <em>l</em>-Phenylephrine hydrochloride, <em>l</em>-α-Hydroxy-β-methylamino-3-hydroxy-1-ethylbenzene hydrochloride, Adrianol, Ak-Dilate, Ak-Nefrin, Alcon Efrin, Almefrin, Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride (1:1), (α<em>R</em>)-, Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (<em>R</em>)-, Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (α<em>R</em>)-, Benzyl alcohol, <em>m</em>-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (-)-, Decadron, Irifrin, Isophrin, Isophrin hydrochloride, Levophenylephrine hydrochloride, Lexatol, M-Sympatol, Maxiclear, Meta-Sympatol, Meta-Synephrine hydrochloride, Metaoxedrine chloride, Metaoxedrine hydrochloride, Neo-Synephrine hydrochloride, Neo-Synesin 1, Neophryn, Neosinesine, Nostril, Oftalfrine, Phenylephrine hydrochloride, Prefrin, Pyracort D, R-Phenylephrine hydrochloride, Sucraphen, Synasal; object_uuid=fo-dd51b2fb263582a9 |
| 261,839 | consensus_match | cas_match_labels | — | {"61-76-7":"exactMatch"} | group_key=3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenolhydrochloride(1:1)||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'61-76-7': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-dd51b2fb263582a9: {'61-76-7': 'exactMatch'} |
| 277,516 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClNO2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenol Hydrochloride (1:1)' |
| 284,208 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClNO2… | rdkit_post_consensus from 'CNC[C@H](O)c1cccc(O)c1.Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,774 | dedupe_altlabels | altLabel | [{"@value":"3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride","@language":"en","source":{"prov:wasGeneratedB… | [{"@value":"3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride","@language":"en","source":{"prov:wasGeneratedB… | Deduplicated altLabel values and removed entries matching prefLabel |
| 357,707 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ae0979e0-473b-… | associations resolved on the elementary layer |
| 391,872 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClNO2… | typed the way the ontology types it |
| 400,099 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | the substance's answer, copied onto its flow |
| 400,100 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClNO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H14ClNO2… | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260821T1302361922970000/14705 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v0 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v1 |
| ef:activity/change/20260821T1302361922970000/14706 | name | ef:agent/bootstrap_labels | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v1 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v2 |
| ef:activity/change/20260821T1302361922970000/14707 | synonyms | ef:agent/bootstrap_labels | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v2 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v3 |
| ef:activity/change/20260821T1302361922970000/153368 | context | ef:agent/default_context_mapping | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v3 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v4 |
| ef:activity/change/20260821T1302361922970000/153369 | context_iri | ef:agent/default_context_mapping | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v4 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v5 |
| ef:activity/change/20260821T1302361922970000/218188 | unit_iri | ef:agent/unit_normalization | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v5 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v6 |
| ef:activity/change/20260821T1302361922970000/224488 | prefLabel | ef:agent/normalize_name_case | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v6 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v7 |
| ef:activity/change/20260821T1302361922970000/241091 | properties | ef:agent/enrich_references | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v7 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v8 |
| ef:activity/change/20260821T1302361922970000/241092 | skos_definition | ef:agent/enrich_references | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v8 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v9 |
| ef:activity/change/20260821T1302361922970000/241093 | references | ef:agent/enrich_references | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v9 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v10 |
| ef:activity/change/20260821T1302361922970000/252322 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v10 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v11 |
| ef:activity/change/20260821T1302361922970000/256346 | altLabel | ef:agent/chebi_altlabels | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v11 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v12 |
| ef:activity/change/20260821T1302361922970000/261838 | altLabel | ef:agent/consensus_match | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v12 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v13 |
| ef:activity/change/20260821T1302361922970000/261839 | cas_match_labels | ef:agent/consensus_match | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v13 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v14 |
| ef:activity/change/20260821T1302361922970000/277516 | properties | ef:agent/opsin_iupac | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v14 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v15 |
| ef:activity/change/20260821T1302361922970000/284208 | properties | ef:agent/rdkit_post_consensus | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v15 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v16 |
| ef:activity/change/20260821T1302361922970000/292774 | altLabel | ef:agent/dedupe_altlabels | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v16 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v17 |
| ef:activity/change/20260821T1302361922970000/357707 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v17 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v18 |
| ef:activity/change/20260821T1302361922970000/391872 | properties | ef:agent/normalise_property_values | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v18 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v19 |
| ef:activity/change/20260821T1302361922970000/400099 | types | ef:agent/link_flows_to_their_substance | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v19 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v20 |
| ef:activity/change/20260821T1302361922970000/400100 | properties | ef:agent/link_flows_to_their_substance | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v20 | ef:flow/ae0979e0-473b-4c46-b751-05258de92f69/v21 |