4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid
Everything that changed this flow. Back to the flow
29db6350-dfe1-4782-8cfa-f7150f0f373f
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 26429' (registry code), 'NSC 4752' (registry 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=4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'89-36-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f10cd29db90b8d8: {'89-36-1': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['89-36-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_192663']; candidate_pubchem_cids=[66638, 249883, 1550927, 7072434, 53411721]; selected_pubchem_cids=[66638]; 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 |
|---|---|---|---|---|---|
| 1,000 | bootstrap_labels | prefLabel | — | [{"@value":"4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid","@language":"en","source":{"prov:wasGen… | Bootstrapped prefLabel from legacy name field |
| 1,001 | bootstrap_labels | name | 4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 1,002 | bootstrap_labels | synonyms | ["organic","4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonicacid","4-sulfofenylmethylpyrazolon,pasta"] | [] | Removed legacy synonyms field in favor of structured labels |
| 64,890 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 64,891 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 213,674 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,332 | normalize_name_case | prefLabel | [{"@value":"4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid","@language":"en","source":{"prov:wasGen… | [{"@value":"4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid","@language":"en","source":{"prov:wasGen… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,138 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10N2O4… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,139 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,140 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.172I","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['89-36-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_192663']; candidate_pubchem_cids=[66638, 249883, 1550927, 7072434, 53411721]; selected_pubchem_cids=[66638]; 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 |
| 248,595 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10N2O4… | rdkit_pre_consensus from 'CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O'; added: monoisotopic_mass |
| 254,512 | chebi_altlabels | altLabel | [] | [{"@value":"4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid","@language":"en","source":{"prov:wasGeneratedBy":"ch… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,473 | consensus_match | altLabel | [{"@value":"4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid","@language":"en","source":{"prov:wasGeneratedBy":"ch… | [{"@value":"4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid","@language":"en","source":{"prov:wasGeneratedBy":"ch… | group_key=4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=89-36-1; added Common Chemistry CAS names as altLabel: 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone, 1-(4′-Sulfophenyl)-3-methyl-5-pyrazolone, 1-(<em>p</em>-Sulfophenyl)-3-methyl-5-pyrazolone, 1-(<em>p</em>-Sulfophenyl)-3-methylpyrazolin-5-one, 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one, 3-Methyl-1-(4-sulfophenyl)-5-pyrazolone, 3-Methyl-1-(4-sulfophenyl)pyrazolin-5-one, 3-Methyl-1-(4′-sulfophenyl)-5-pyrazolone, 3-Methyl-1-(<em>p</em>-sulfophenyl)-2-pyrazolin-5-one, 3-Methyl-1-(<em>p</em>-sulfophenyl)-5-pyrazolone, 3-Methyl-1-phenyl-5-pyrazolone-4′-sulfonic acid, 4-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid, 4-(4,5-Dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)benzenesulfonic acid, <em>p</em>-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid, Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)-, Benzenesulfonic acid, <em>p</em>-(3-methyl-5-oxo-2-pyrazolin-1-yl)-, NSC 26429, NSC 4752, Pyrazoline G; object_uuid=fo-7f10cd29db90b8d8 |
| 262,474 | consensus_match | cas_match_labels | — | {"89-36-1":"exactMatch"} | group_key=4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'89-36-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f10cd29db90b8d8: {'89-36-1': 'exactMatch'} |
| 273,736 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10N2O4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid' |
| 280,111 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10N2O4… | rdkit_post_consensus from 'CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,478 | strip_catalogue_altlabels | altLabel | [{"@value":"4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid","@language":"en","source":{"prov:wasGeneratedBy":"ch… | [{"@value":"4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid","@language":"en","source":{"prov:wasGeneratedBy":"ch… | Removed 2 catalogue altLabel value(s): 'NSC 26429' (registry code), 'NSC 4752' (registry code) |
| 313,485 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/29db6350-dfe1-… | associations resolved on the elementary layer |
| 388,016 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10N2O4… | typed the way the ontology types it |
| 394,587 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260820T1555490862250000/1000 | prefLabel | ef:agent/bootstrap_labels | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v0 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v1 |
| ef:activity/change/20260820T1555490862250000/1001 | name | ef:agent/bootstrap_labels | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v1 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v2 |
| ef:activity/change/20260820T1555490862250000/1002 | synonyms | ef:agent/bootstrap_labels | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v2 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v3 |
| ef:activity/change/20260820T1555490862250000/64890 | context | ef:agent/default_context_mapping | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v3 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v4 |
| ef:activity/change/20260820T1555490862250000/64891 | context_iri | ef:agent/default_context_mapping | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v4 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v5 |
| ef:activity/change/20260820T1555490862250000/213674 | unit_iri | ef:agent/unit_normalization | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v5 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v6 |
| ef:activity/change/20260820T1555490862250000/221332 | prefLabel | ef:agent/normalize_name_case | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v6 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v7 |
| ef:activity/change/20260820T1555490862250000/228138 | properties | ef:agent/enrich_references | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v7 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v8 |
| ef:activity/change/20260820T1555490862250000/228139 | skos_definition | ef:agent/enrich_references | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v8 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v9 |
| ef:activity/change/20260820T1555490862250000/228140 | references | ef:agent/enrich_references | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v9 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v10 |
| ef:activity/change/20260820T1555490862250000/248595 | properties | ef:agent/rdkit_pre_consensus | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v10 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v11 |
| ef:activity/change/20260820T1555490862250000/254512 | altLabel | ef:agent/chebi_altlabels | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v11 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v12 |
| ef:activity/change/20260820T1555490862250000/262473 | altLabel | ef:agent/consensus_match | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v12 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v13 |
| ef:activity/change/20260820T1555490862250000/262474 | cas_match_labels | ef:agent/consensus_match | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v13 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v14 |
| ef:activity/change/20260820T1555490862250000/273736 | properties | ef:agent/opsin_iupac | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v14 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v15 |
| ef:activity/change/20260820T1555490862250000/280111 | properties | ef:agent/rdkit_post_consensus | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v15 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v16 |
| ef:activity/change/20260820T1555490862250000/287478 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v16 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v17 |
| ef:activity/change/20260820T1555490862250000/313485 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v17 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v18 |
| ef:activity/change/20260820T1555490862250000/388016 | properties | ef:agent/normalise_property_values | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v18 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v19 |
| ef:activity/change/20260820T1555490862250000/394587 | types | ef:agent/link_flows_to_their_substance | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v19 | ef:flow/29db6350-dfe1-4782-8cfa-f7150f0f373f/v20 |