Denatonium Benzoate
Everything that changed this flow. Back to the flow
455bab38-f4cb-47e2-b11c-de51e4329016
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'NSC 157658' (registry code), 'THS 839' (grade code), 'Win 16568' (grade code) |
| 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=denatoniumbenzoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3734-33-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3ea050a6a02c5da8: {'3734-33-6': '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 air > Emissions to air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3734-33-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_232400']; candidate_pubchem_cids=[19518, 168900, 423792, 60205797]; selected_pubchem_cids=[60205797]; 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 |
|---|---|---|---|---|---|
| 16,780 | bootstrap_labels | prefLabel | — | [{"@value":"denatonium benzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 16,781 | bootstrap_labels | name | denatonium benzoate | — | Purged legacy name field to enforce prefLabel usage |
| 16,782 | bootstrap_labels | synonyms | ["denatoniumbenzoate","223-095-2","benzyl({[(2,6-dimethylphenyl)carbamoyl]methyl})diethylazaniumbenzoatehydrate","benzy… | [] | Removed legacy synonyms field in favor of structured labels |
| 82,574 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 82,575 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 218,843 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,932 | normalize_name_case | prefLabel | [{"@value":"denatonium benzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Denatonium Benzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,949 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H28N2O.… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,950 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,951 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=3734-33-6","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['3734-33-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_232400']; candidate_pubchem_cids=[19518, 168900, 423792, 60205797]; selected_pubchem_cids=[60205797]; 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 |
| 252,859 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H28N2O.… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H28N2O.… | rdkit_pre_consensus from 'CC[N+](CC)(C/C([O-])=N/c1c(C)cccc1C)Cc1ccccc1.O=C(O)c1ccccc1'; added: monoisotopic_mass |
| 265,603 | consensus_match | altLabel | [] | [{"@value":"<em>N</em>-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl(phenylmethyl)ammonium b… | group_key=denatoniumbenzoate||dimension=Environmental > media=Air > strata=Long-term; cas=3734-33-6; added Common Chemistry CAS names as altLabel: <em>N</em>-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl(phenylmethyl)ammonium benzoate, Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate, Anispray, Aversion, Benzenemethanaminium, <em>N</em>-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl-, benzoate, Benzenemethanaminium, <em>N</em>-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl-, benzoate (1:1), Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate, Bitrex, Bitterant Bitrex PG, ECX 95BY, Gori, Lignocaine benzyl benzoate, NSC 157658, THS 839, Win 16568; object_uuid=fo-3ea050a6a02c5da8 |
| 265,604 | consensus_match | cas_match_labels | — | {"3734-33-6":"exactMatch"} | group_key=denatoniumbenzoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3734-33-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3ea050a6a02c5da8: {'3734-33-6': 'exactMatch'} |
| 278,066 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H28N2O.… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H28N2O.… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate' |
| 284,796 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H28N2O.… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H28N2O.… | rdkit_post_consensus from 'CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,663 | strip_catalogue_altlabels | altLabel | [{"@value":"<em>N</em>-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-<em>N</em>,<em>N</em>-diethyl(phenylmethyl)ammonium b… | [{"@value":"N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate","@language":"en","… | Removed 3 catalogue altLabel value(s): 'NSC 157658' (registry code), 'THS 839' (grade code), 'Win 16568' (grade code) |
| 322,301 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/455bab38-f4cb-… | associations resolved on the elementary layer |
| 392,419 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H28N2O.… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H28N2O.… | typed the way the ontology types it |
| 400,877 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260822T0600486828500000/16780 | prefLabel | ef:agent/bootstrap_labels | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v0 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v1 |
| ef:activity/change/20260822T0600486828500000/16781 | name | ef:agent/bootstrap_labels | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v1 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v2 |
| ef:activity/change/20260822T0600486828500000/16782 | synonyms | ef:agent/bootstrap_labels | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v2 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v3 |
| ef:activity/change/20260822T0600486828500000/82574 | context | ef:agent/default_context_mapping | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v3 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v4 |
| ef:activity/change/20260822T0600486828500000/82575 | context_iri | ef:agent/default_context_mapping | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v4 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v5 |
| ef:activity/change/20260822T0600486828500000/218843 | unit_iri | ef:agent/unit_normalization | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v5 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v6 |
| ef:activity/change/20260822T0600486828500000/224932 | prefLabel | ef:agent/normalize_name_case | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v6 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v7 |
| ef:activity/change/20260822T0600486828500000/242949 | properties | ef:agent/enrich_references | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v7 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v8 |
| ef:activity/change/20260822T0600486828500000/242950 | skos_definition | ef:agent/enrich_references | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v8 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v9 |
| ef:activity/change/20260822T0600486828500000/242951 | references | ef:agent/enrich_references | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v9 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v10 |
| ef:activity/change/20260822T0600486828500000/252859 | properties | ef:agent/rdkit_pre_consensus | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v10 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v11 |
| ef:activity/change/20260822T0600486828500000/265603 | altLabel | ef:agent/consensus_match | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v11 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v12 |
| ef:activity/change/20260822T0600486828500000/265604 | cas_match_labels | ef:agent/consensus_match | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v12 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v13 |
| ef:activity/change/20260822T0600486828500000/278066 | properties | ef:agent/opsin_iupac | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v13 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v14 |
| ef:activity/change/20260822T0600486828500000/284796 | properties | ef:agent/rdkit_post_consensus | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v14 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v15 |
| ef:activity/change/20260822T0600486828500000/290663 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v15 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v16 |
| ef:activity/change/20260822T0600486828500000/322301 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v16 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v17 |
| ef:activity/change/20260822T0600486828500000/392419 | properties | ef:agent/normalise_property_values | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v17 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v18 |
| ef:activity/change/20260822T0600486828500000/400877 | types | ef:agent/link_flows_to_their_substance | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v18 | ef:flow/455bab38-f4cb-47e2-b11c-de51e4329016/v19 |