← Back to consensus flows

4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid

UUID 29db6350-dfe1-4782-8cfa-f7150f0f373f
Flow Object IDfo-7f10cd29db90b8d8
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 89-36-1
EC Numbers 201-901-3
prefLabel
Language Value Provenance
en 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid
altLabel ⓘ
Language Value Provenance
en 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid
en 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone
en 1-(4′-Sulfophenyl)-3-methyl-5-pyrazolone
en 1-(<em>p</em>-Sulfophenyl)-3-methyl-5-pyrazolone
en 1-(<em>p</em>-Sulfophenyl)-3-methylpyrazolin-5-one
en 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one
en 3-Methyl-1-(4-sulfophenyl)-5-pyrazolone
en 3-Methyl-1-(4-sulfophenyl)pyrazolin-5-one
en 3-Methyl-1-(4′-sulfophenyl)-5-pyrazolone
en 3-Methyl-1-(<em>p</em>-sulfophenyl)-2-pyrazolin-5-one
en 3-Methyl-1-(<em>p</em>-sulfophenyl)-5-pyrazolone
en 3-Methyl-1-phenyl-5-pyrazolone-4′-sulfonic acid
en 4-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid
en 4-(4,5-Dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)benzenesulfonic acid
en <em>p</em>-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
en Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)-
en Benzenesulfonic acid, <em>p</em>-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
en NSC 26429
en NSC 4752
en Pyrazoline G
en 4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey CWJQQASJVVAXKL-UHFFFAOYSA-N
InChI InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)
IUPAC name 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid, 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid, 4-(5-keto-3-methyl-2-pyrazolin-1-yl)besylic acid
Molecular formula C10H10N2O4S
Molecular mass 254.267
Monoisotopic mass 254.03613
SMILES CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O, CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 29db6350-dfe1-4782-8cfa-f7150f0f373f 4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid Emissions/Emissions to air/Emissions to air, indoor kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match 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
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'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid', 'http://purl.obolibrary.org/obo/CHEBI_192663', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid', 'http://purl.obolibrary.org/obo/CHEBI_192663', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(4-Sulfophenyl)-3-methyl-5-pyrazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(4′-Sulfophenyl)-3-methyl-5-pyrazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(<em>p</em>-Sulfophenyl)-3-methyl-5-pyrazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(<em>p</em>-Sulfophenyl)-3-methylpyrazolin-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-(4-sulfophenyl)-5-pyrazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-(4-sulfophenyl)pyrazolin-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-(4′-sulfophenyl)-5-pyrazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-(<em>p</em>-sulfophenyl)-2-pyrazolin-5-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-(<em>p</em>-sulfophenyl)-5-pyrazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methyl-1-phenyl-5-pyrazolone-4′-sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(4,5-Dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)benzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, <em>p</em>-(3-methyl-5-oxo-2-pyrazolin-1-yl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 26429', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 4752', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyrazoline G', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89-36-1', 'https://commonchemistry.cas.org/detail?cas_rn=89-36-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] 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
cas_match_labels None {'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'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "29db6350-dfe1-4782-8cfa-f7150f0f373f",
  "name": null,
  "cas_numbers": [
    "89-36-1"
  ],
  "ec_numbers": [
    "201-901-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1692.9
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1692.9
    }
  ],
  "source": "EF 3.1",
  "identifier": "29db6350-dfe1-4782-8cfa-f7150f0f373f",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "29db6350-dfe1-4782-8cfa-f7150f0f373f",
      "source_flow_name": "4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to air, indoor"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "CID:66638"
        ],
        "prov:wasDerivedFrom": "pubchem record title"
      }
    }
  ],
  "_sources": {
    "prefLabel": "pubchem_readable_name",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H10N2O4S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_192663"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:66638"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O",
        "CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_192663"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:66638"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_192663"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:66638"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CWJQQASJVVAXKL-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_192663"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:66638"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "254.267"
      ],
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_192663"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
      }
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        "254.03613"
      ],
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_192663"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
      }
    },
    "https://w3id.org/chemrof/formal_charge": {
      "@id": "https://w3id.org/chemrof/formal_charge",
      "@value": [
        "0"
      ],
      "rdfs:label": "Formal charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_192663"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid",
        "4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid",
        "4-(5-keto-3-methyl-2-pyrazolin-1-yl)besylic acid"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66638"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.172I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66638;CAS:89-36-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-36-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.001.729",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66638;CAS:89-36-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-36-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=89-36-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_192663"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID0044999",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66638;CAS:89-36-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-36-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=26429",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66638;CAS:89-36-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-36-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4752",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66638;CAS:89-36-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-36-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/66638",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66638;CAS:89-36-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[89-36-1]"
      }
    },
    {
      "@id": "https://www.chemspider.com/Chemical-Structure.60005.html",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_192663"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:192663",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_id_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_192663"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3088000",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66638;CAS:89-36-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-36-1]"
      }
    },
    {
      "@id": "https://www.genome.jp/entry/D91279",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_192663"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27263221",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66638;CAS:89-36-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[89-36-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulonic acid",
          "http://purl.obolibrary.org/obo/CHEBI_192663",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-(4-Sulfophenyl)-3-methyl-5-pyrazolone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(4′-Sulfophenyl)-3-methyl-5-pyrazolone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(<em>p</em>-Sulfophenyl)-3-methyl-5-pyrazolone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(<em>p</em>-Sulfophenyl)-3-methylpyrazolin-5-one",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-1-(4-sulfophenyl)-5-pyrazolone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-1-(4-sulfophenyl)pyrazolin-5-one",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-1-(4′-sulfophenyl)-5-pyrazolone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-1-(<em>p</em>-sulfophenyl)-2-pyrazolin-5-one",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-1-(<em>p</em>-sulfophenyl)-5-pyrazolone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-1-phenyl-5-pyrazolone-4′-sulfonic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(4,5-Dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)benzenesulfonic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>p</em>-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1<em>H</em>-pyrazol-1-yl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonic acid, <em>p</em>-(3-methyl-5-oxo-2-pyrazolin-1-yl)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 26429",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 4752",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyrazoline G",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:89-36-1",
          "https://commonchemistry.cas.org/detail?cas_rn=89-36-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic Acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "pubchem_readable_name",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "29db6350-dfe1-4782-8cfa-f7150f0f373f"
        ],
        "prov:wasDerivedFrom": "previous prefLabel"
      }
    }
  ],
  "cas_match_labels": {
    "89-36-1": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/29db6350-dfe1-4782-8cfa-f7150f0f373f",
        "skos:prefLabel": "4-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/29db6350-dfe1-4782-8cfa-f7150f0f373f"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-7f10cd29db90b8d8"
}