3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid
Everything that changed this flow. Back to the flow
e95e3204-10b0-43f1-80bc-525de12096d2
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): 'NSC 15354' (registry code), 'NSC 50668' (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=3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'119-17-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4a8f3ac7ec863b13: {'119-17-5': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['119-17-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[67060, 1551307, 101834411]; selected_pubchem_cids=[67060]; 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 |
|---|---|---|---|---|---|
| 692 | bootstrap_labels | prefLabel | — | [{"@value":"3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid","@language":"en","source":{"prov:wasGen… | Bootstrapped prefLabel from legacy name field |
| 693 | bootstrap_labels | name | 3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 694 | bootstrap_labels | synonyms | ["organic","m-(4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)benzenesulphonicacid","1-(3'","-sulfophenyl)-3-methyl-5-p… | [] | Removed legacy synonyms field in favor of structured labels |
| 189,494 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 189,495 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 213,571 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,260 | normalize_name_case | prefLabel | [{"@value":"3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid","@language":"en","source":{"prov:wasGen… | [{"@value":"3-(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) |
| 227,835 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10N2O4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 227,836 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,837 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J183.789C","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['119-17-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[67060, 1551307, 101834411]; selected_pubchem_cids=[67060]; 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 |
| 248,504 | 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(=CC=C2)S(=O)(=O)O'; added: molecular_mass, monoisotopic_mass |
| 261,761 | consensus_match | altLabel | [] | [{"@value":"1-(3-Sulfophenyl)-3-methyl-5-pyrazolone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; cas=119-17-5; added Common Chemistry CAS names as altLabel: 1-(3-Sulfophenyl)-3-methyl-5-pyrazolone, 1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone, 3-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid, 3-(4,5-Dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)benzenesulfonic acid, 3-Methyl-1-(3-sulfophenyl)-5-pyrazolone, 3-Methyl-1-(3′-sulfophenyl)-5-pyrazolone, 3-Methyl-1-(<em>m</em>-sulfophenyl)-2-pyrazolin-5-one, <em>m</em>-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid, Benzenesulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)-, Benzenesulfonic acid, <em>m</em>-(3-methyl-5-oxo-2-pyrazolin-1-yl)-, NSC 15354, NSC 50668; object_uuid=fo-4a8f3ac7ec863b13 |
| 261,762 | consensus_match | cas_match_labels | — | {"119-17-5":"exactMatch"} | group_key=3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonicacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'119-17-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4a8f3ac7ec863b13: {'119-17-5': 'exactMatch'} |
| 273,645 | 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 '3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid' |
| 280,009 | 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(c2cccc(S(=O)(=O)O)c2)C(=O)C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,408 | strip_catalogue_altlabels | altLabel | [{"@value":"1-(3-Sulfophenyl)-3-methyl-5-pyrazolone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | [{"@value":"1-(3-Sulfophenyl)-3-methyl-5-pyrazolone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Removed 2 catalogue altLabel value(s): 'NSC 15354' (registry code), 'NSC 50668' (registry code) |
| 375,796 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e95e3204-10b0-… | associations resolved on the elementary layer |
| 387,921 | 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 |
| 394,461 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260820T0738569779880000/692 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v0 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v1 |
| ef:activity/change/20260820T0738569779880000/693 | name | ef:agent/bootstrap_labels | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v1 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v2 |
| ef:activity/change/20260820T0738569779880000/694 | synonyms | ef:agent/bootstrap_labels | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v2 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v3 |
| ef:activity/change/20260820T0738569779880000/189494 | context | ef:agent/default_context_mapping | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v3 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v4 |
| ef:activity/change/20260820T0738569779880000/189495 | context_iri | ef:agent/default_context_mapping | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v4 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v5 |
| ef:activity/change/20260820T0738569779880000/213571 | unit_iri | ef:agent/unit_normalization | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v5 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v6 |
| ef:activity/change/20260820T0738569779880000/221260 | prefLabel | ef:agent/normalize_name_case | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v6 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v7 |
| ef:activity/change/20260820T0738569779880000/227835 | properties | ef:agent/enrich_references | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v7 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v8 |
| ef:activity/change/20260820T0738569779880000/227836 | skos_definition | ef:agent/enrich_references | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v8 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v9 |
| ef:activity/change/20260820T0738569779880000/227837 | references | ef:agent/enrich_references | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v9 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v10 |
| ef:activity/change/20260820T0738569779880000/248504 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v10 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v11 |
| ef:activity/change/20260820T0738569779880000/261761 | altLabel | ef:agent/consensus_match | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v11 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v12 |
| ef:activity/change/20260820T0738569779880000/261762 | cas_match_labels | ef:agent/consensus_match | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v12 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v13 |
| ef:activity/change/20260820T0738569779880000/273645 | properties | ef:agent/opsin_iupac | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v13 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v14 |
| ef:activity/change/20260820T0738569779880000/280009 | properties | ef:agent/rdkit_post_consensus | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v14 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v15 |
| ef:activity/change/20260820T0738569779880000/287408 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v15 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v16 |
| ef:activity/change/20260820T0738569779880000/375796 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v16 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v17 |
| ef:activity/change/20260820T0738569779880000/387921 | properties | ef:agent/normalise_property_values | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v17 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v18 |
| ef:activity/change/20260820T0738569779880000/394461 | types | ef:agent/link_flows_to_their_substance | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v18 | ef:flow/e95e3204-10b0-43f1-80bc-525de12096d2/v19 |