1,2-dimethyl-3,5-diphenylpyrazolium Methylsulphate
Everything that changed this flow. Back to the flow
b360550d-a8b0-49e4-b7ad-2fab1ed8f59c
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 2 catalogue altLabel value(s): 'AC 84777' (grade code), 'Avenge 200C' (trade name) |
| 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=1,2-dimethyl-3,5-diphenylpyrazoliummethylsulphate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'43222-48-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fbf91051fa301ed9: {'43222-48-6': '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 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=['43222-48-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[39424, 39425, 71432911]; selected_pubchem_cids=[39424]; 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 |
|---|---|---|---|---|---|
| 22,263 | bootstrap_labels | prefLabel | — | [{"@value":"1,2-dimethyl-3,5-diphenylpyrazolium methylsulphate","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Bootstrapped prefLabel from legacy name field |
| 22,264 | bootstrap_labels | name | 1,2-dimethyl-3,5-diphenylpyrazolium methylsulphate | — | Purged legacy name field to enforce prefLabel usage |
| 22,265 | bootstrap_labels | synonyms | ["1,2-Dimethyl-3,5-diphenyl-1H-pyrazolinium methyl sulfate","1,2-dimethyl-3,5-diphenyl-1H-pyrazol-2-ium methyl sulfate"… | [] | Removed legacy synonyms field in favor of structured labels |
| 156,374 | 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 |
| 156,375 | 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 |
| 220,423 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,109 | normalize_name_case | prefLabel | [{"@value":"1,2-dimethyl-3,5-diphenylpyrazolium methylsulphate","@language":"en","source":{"prov:wasGeneratedBy":"boots… | [{"@value":"1,2-dimethyl-3,5-diphenylpyrazolium Methylsulphate","@language":"en","source":{"prov:wasGeneratedBy":"boots… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,340 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H20N2O4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 247,341 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,342 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.051.030","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['43222-48-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[39424, 39425, 71432911]; selected_pubchem_cids=[39424]; 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 |
| 254,134 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H20N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H20N2O4… | rdkit_pre_consensus from 'CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 258,428 | consensus_match | altLabel | [] | [{"@value":"1,2-Dimethyl-3,5-diphenyl-1<em>H</em>-pyrazol-2-ium methyl sulfate","@language":"en","source":{"prov:wasGen… | group_key=1,2-dimethyl-3,5-diphenylpyrazoliummethylsulphate||dimension=Environmental > media=Water > water_body=Surface water; cas=43222-48-6; added Common Chemistry CAS names as altLabel: 1,2-Dimethyl-3,5-diphenyl-1<em>H</em>-pyrazol-2-ium methyl sulfate, 1,2-Dimethyl-3,5-diphenyl-1<em>H</em>-pyrazolium methyl sulfate, 1,2-Dimethyl-3,5-diphenylpyrazolium methyl sulfate, 1<em>H</em>-Pyrazolium, 1,2-dimethyl-3,5-diphenyl-, methyl sulfate, 1<em>H</em>-Pyrazolium, 1,2-dimethyl-3,5-diphenyl-, methyl sulfate (1:1), AC 84777, Avenge, Avenge 200C, Avenge SP, Difenzoquat methyl sulfate, Finaven, Yanmaiku, Yanmeiku, Yeyanku; object_uuid=fo-fbf91051fa301ed9 |
| 258,429 | consensus_match | cas_match_labels | — | {"43222-48-6":"exactMatch"} | group_key=1,2-dimethyl-3,5-diphenylpyrazoliummethylsulphate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'43222-48-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fbf91051fa301ed9: {'43222-48-6': 'exactMatch'} |
| 279,329 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H20N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H20N2O4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,2-dimethyl-3,5-diphenylpyrazolium Methylsulphate' |
| 286,204 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H20N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H20N2O4… | rdkit_post_consensus from 'COS(=O)(=O)[O-].Cn1c(-c2ccccc2)cc(-c2ccccc2)[n+]1C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,572 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2-Dimethyl-3,5-diphenyl-1<em>H</em>-pyrazol-2-ium methyl sulfate","@language":"en","source":{"prov:wasGen… | [{"@value":"1,2-Dimethyl-3,5-diphenyl-1H-pyrazol-2-ium methyl sulfate","@language":"en","source":{"prov:wasGeneratedBy"… | Removed 2 catalogue altLabel value(s): 'AC 84777' (grade code), 'Avenge 200C' (trade name) |
| 359,205 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b360550d-a8b0-… | associations resolved on the elementary layer |
| 393,719 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H20N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H20N2O4… | typed the way the ontology types it |
| 402,870 | 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/20260820T1812399309960000/22263 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v0 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v1 |
| ef:activity/change/20260820T1812399309960000/22264 | name | ef:agent/bootstrap_labels | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v1 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v2 |
| ef:activity/change/20260820T1812399309960000/22265 | synonyms | ef:agent/bootstrap_labels | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v2 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v3 |
| ef:activity/change/20260820T1812399309960000/156374 | context | ef:agent/default_context_mapping | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v3 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v4 |
| ef:activity/change/20260820T1812399309960000/156375 | context_iri | ef:agent/default_context_mapping | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v4 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v5 |
| ef:activity/change/20260820T1812399309960000/220423 | unit_iri | ef:agent/unit_normalization | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v5 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v6 |
| ef:activity/change/20260820T1812399309960000/226109 | prefLabel | ef:agent/normalize_name_case | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v6 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v7 |
| ef:activity/change/20260820T1812399309960000/247340 | properties | ef:agent/enrich_references | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v7 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v8 |
| ef:activity/change/20260820T1812399309960000/247341 | skos_definition | ef:agent/enrich_references | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v8 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v9 |
| ef:activity/change/20260820T1812399309960000/247342 | references | ef:agent/enrich_references | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v9 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v10 |
| ef:activity/change/20260820T1812399309960000/254134 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v10 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v11 |
| ef:activity/change/20260820T1812399309960000/258428 | altLabel | ef:agent/consensus_match | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v11 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v12 |
| ef:activity/change/20260820T1812399309960000/258429 | cas_match_labels | ef:agent/consensus_match | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v12 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v13 |
| ef:activity/change/20260820T1812399309960000/279329 | properties | ef:agent/opsin_iupac | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v13 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v14 |
| ef:activity/change/20260820T1812399309960000/286204 | properties | ef:agent/rdkit_post_consensus | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v14 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v15 |
| ef:activity/change/20260820T1812399309960000/291572 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v15 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v16 |
| ef:activity/change/20260820T1812399309960000/359205 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v16 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v17 |
| ef:activity/change/20260820T1812399309960000/393719 | properties | ef:agent/normalise_property_values | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v17 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v18 |
| ef:activity/change/20260820T1812399309960000/402870 | types | ef:agent/link_flows_to_their_substance | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v18 | ef:flow/b360550d-a8b0-49e4-b7ad-2fab1ed8f59c/v19 |