N-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminium Chloride
Everything that changed this flow. Back to the flow
9ef83594-3fe9-4f17-aba3-d5902bc12017
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminiumchloride||dimension=Environmental > media=Air > indoor=Unknown; cas=71786-67-9; added Common Chemistry CAS names as altLabel: Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride, Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride (1:1); object_uuid=fo-57f56c225d5cb077 |
| cas_match_labels | 1 | consensus_match | group_key=n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminiumchloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'71786-67-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-57f56c225d5cb077: {'71786-67-9': '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=['71786-67-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[172900, 53446397, 56924238, 91827864]; selected_pubchem_cids=[172900, 91827864]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 22,244 | bootstrap_labels | prefLabel | — | [{"@value":"n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminium chloride","@language":"en","source":{"prov:wasGener… | Bootstrapped prefLabel from legacy name field |
| 22,245 | bootstrap_labels | name | n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 22,246 | bootstrap_labels | synonyms | ["organic","benzyl(3-hydroxyphenacyl)methylammoniumchloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 144,306 | 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 |
| 144,307 | 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 |
| 220,419 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,105 | normalize_name_case | prefLabel | [{"@value":"n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminium chloride","@language":"en","source":{"prov:wasGener… | [{"@value":"N-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminium Chloride","@language":"en","source":{"prov:wasGener… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,328 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18ClNO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 247,329 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,330 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.069.086","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['71786-67-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[172900, 53446397, 56924238, 91827864]; selected_pubchem_cids=[172900, 91827864]; 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 |
| 254,130 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18ClNO… | rdkit_pre_consensus from 'CN(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)O.Cl'; added: molecular_mass, monoisotopic_mass |
| 269,484 | consensus_match | altLabel | [] | [{"@value":"Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride","@language":"en","source":{"pr… | group_key=n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminiumchloride||dimension=Environmental > media=Air > indoor=Unknown; cas=71786-67-9; added Common Chemistry CAS names as altLabel: Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride, Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride (1:1); object_uuid=fo-57f56c225d5cb077 |
| 269,485 | consensus_match | cas_match_labels | — | {"71786-67-9":"exactMatch"} | group_key=n-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminiumchloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'71786-67-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-57f56c225d5cb077: {'71786-67-9': 'exactMatch'} |
| 279,332 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18ClNO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'N-benzyl-2-(3-hydroxyphenyl)-n-methyl-2-oxoethanaminium Chloride' |
| 286,205 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18ClNO… | rdkit_post_consensus from 'C[NH+](CC(=O)c1cccc(O)c1)Cc1ccccc1.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 353,155 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9ef83594-3fe9-… | associations resolved on the elementary layer |
| 393,723 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18ClNO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H18ClNO… | typed the way the ontology types it |
| 402,876 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260822T0600486828500000/22244 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v0 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v1 |
| ef:activity/change/20260822T0600486828500000/22245 | name | ef:agent/bootstrap_labels | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v1 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v2 |
| ef:activity/change/20260822T0600486828500000/22246 | synonyms | ef:agent/bootstrap_labels | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v2 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v3 |
| ef:activity/change/20260822T0600486828500000/144306 | context | ef:agent/default_context_mapping | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v3 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v4 |
| ef:activity/change/20260822T0600486828500000/144307 | context_iri | ef:agent/default_context_mapping | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v4 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v5 |
| ef:activity/change/20260822T0600486828500000/220419 | unit_iri | ef:agent/unit_normalization | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v5 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v6 |
| ef:activity/change/20260822T0600486828500000/226105 | prefLabel | ef:agent/normalize_name_case | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v6 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v7 |
| ef:activity/change/20260822T0600486828500000/247328 | properties | ef:agent/enrich_references | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v7 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v8 |
| ef:activity/change/20260822T0600486828500000/247329 | skos_definition | ef:agent/enrich_references | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v8 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v9 |
| ef:activity/change/20260822T0600486828500000/247330 | references | ef:agent/enrich_references | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v9 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v10 |
| ef:activity/change/20260822T0600486828500000/254130 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v10 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v11 |
| ef:activity/change/20260822T0600486828500000/269484 | altLabel | ef:agent/consensus_match | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v11 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v12 |
| ef:activity/change/20260822T0600486828500000/269485 | cas_match_labels | ef:agent/consensus_match | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v12 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v13 |
| ef:activity/change/20260822T0600486828500000/279332 | properties | ef:agent/opsin_iupac | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v13 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v14 |
| ef:activity/change/20260822T0600486828500000/286205 | properties | ef:agent/rdkit_post_consensus | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v14 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v15 |
| ef:activity/change/20260822T0600486828500000/353155 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v15 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v16 |
| ef:activity/change/20260822T0600486828500000/393723 | properties | ef:agent/normalise_property_values | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v16 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v17 |
| ef:activity/change/20260822T0600486828500000/402876 | types | ef:agent/link_flows_to_their_substance | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v17 | ef:flow/9ef83594-3fe9-4f17-aba3-d5902bc12017/v18 |