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Probenecid

UUID fe0acd60-3ddc-11dd-a09e-0050c2490048
Flow Object IDfo-a0b9c5f00c744d24
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 57-66-9
EC Numbers 200-344-3
prefLabel
Language Value Provenance
en Probenecid
altLabel ⓘ
Language Value Provenance
en 4-((Dipropylamino)sulfonyl)benzoic acid
en 4-(Di-n-propylsulfamoyl)benzoesaeure
en 4-(N,N-Dipropylsulfamoyl)benzoesaeure
en 4-(dipropylsulfamoyl)benzoic acid
en Probenecid Acid
en p-(Dipropylsulfamoyl)benzoic acid
en probenecida
en probenecide
en probenecidum
en 4-(<em>N</em>,<em>N</em>-Dipropylaminosulfonyl)benzoic acid
en 4-(<em>N</em>,<em>N</em>-Dipropylsulfamoyl)benzoic acid
en 4-[(Dipropylamino)sulfonyl]benzoic acid
en <em>p</em>-(Dipropylsulfamoyl)benzoic acid
en <em>p</em>-(Dipropylsulfamyl)benzoic acid
en Apurina
en Benecid
en Benemid
en Benuryl
en Benzoic acid, 4-[(dipropylamino)sulfonyl]-
en Benzoic acid, <em>p</em>-(dipropylsulfamoyl)-
en MeSH ID: D011339
en NSC 18786
en Probecid
en Proben
en Prolongine
en Synergid R
en Tubophan
en Uricosid
Definitions
Language Value Provenance
en A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey DBABZHXKTCFAPX-UHFFFAOYSA-N
InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
IUPAC name 4-(dipropylsulfamoyl)benzoic acid
Molecular formula C13H19NO4S
Molecular mass 285.365
Monoisotopic mass 285.10348
SMILES CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O, CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-a09e-0050c2490048 probenecid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 probenecid Emissions/Emissions to water/Emissions to fresh water 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=probenecid||dimension=Environmental > media=Ground > geography=Agricultural; cas=57-66-9; added Common Chemistry CAS names as altLabel: 4-(<em>N</em>,<em>N</em>-Dipropylaminosulfonyl)benzoic acid, 4-(<em>N</em>,<em>N</em>-Dipropylsulfamoyl)benzoic acid, 4-[(Dipropylamino)sulfonyl]benzoic acid, <em>p</em>-(Dipropylsulfamoyl)benzoic acid, <em>p</em>-(Dipropylsulfamyl)benzoic acid, Apurina, Benecid, Benemid, Benuryl, Benzoic acid, 4-[(dipropylamino)sulfonyl]-, Benzoic acid, <em>p</em>-(dipropylsulfamoyl)-, MeSH ID: D011339, NSC 18786, Probecid, Proben, Prolongine, Synergid R, Tubophan, Uricosid; object_uuid=fo-a0b9c5f00c744d24
cas_match_labels 1 — consensus_match group_key=probenecid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'57-66-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a0b9c5f00c744d24: {'57-66-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '4-((Dipropylamino)sulfonyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-((Dipropylamino)sulfonyl)benzoic acid', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-(Di-n-propylsulfamoyl)benzoesaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-(Di-n-propylsulfamoyl)benzoesaeure', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-(N,N-Dipropylsulfamoyl)benzoesaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-(N,N-Dipropylsulfamoyl)benzoesaeure', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-(dipropylsulfamoyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-(dipropylsulfamoyl)benzoic acid', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Probenecid Acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Probenecid Acid', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-(Dipropylsulfamoyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-(Dipropylsulfamoyl)benzoic acid', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'probenecida', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:probenecida', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'probenecide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:probenecide', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'probenecidum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:probenecidum', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '4-((Dipropylamino)sulfonyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-((Dipropylamino)sulfonyl)benzoic acid', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-(Di-n-propylsulfamoyl)benzoesaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-(Di-n-propylsulfamoyl)benzoesaeure', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-(N,N-Dipropylsulfamoyl)benzoesaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-(N,N-Dipropylsulfamoyl)benzoesaeure', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-(dipropylsulfamoyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-(dipropylsulfamoyl)benzoic acid', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Probenecid Acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Probenecid Acid', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-(Dipropylsulfamoyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-(Dipropylsulfamoyl)benzoic acid', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'probenecida', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:probenecida', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'probenecide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:probenecide', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'probenecidum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:probenecidum', 'http://purl.obolibrary.org/obo/CHEBI_8426', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-(<em>N</em>,<em>N</em>-Dipropylaminosulfonyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(<em>N</em>,<em>N</em>-Dipropylsulfamoyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-[(Dipropylamino)sulfonyl]benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-(Dipropylsulfamoyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-(Dipropylsulfamyl)benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Apurina', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benecid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benemid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benuryl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, 4-[(dipropylamino)sulfonyl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, <em>p</em>-(dipropylsulfamoyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D011339', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 18786', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Probecid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Proben', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Prolongine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Synergid R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tubophan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Uricosid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57-66-9', 'https://commonchemistry.cas.org/detail?cas_rn=57-66-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=probenecid||dimension=Environmental > media=Ground > geography=Agricultural; cas=57-66-9; added Common Chemistry CAS names as altLabel: 4-(<em>N</em>,<em>N</em>-Dipropylaminosulfonyl)benzoic acid, 4-(<em>N</em>,<em>N</em>-Dipropylsulfamoyl)benzoic acid, 4-[(Dipropylamino)sulfonyl]benzoic acid, <em>p</em>-(Dipropylsulfamoyl)benzoic acid, <em>p</em>-(Dipropylsulfamyl)benzoic acid, Apurina, Benecid, Benemid, Benuryl, Benzoic acid, 4-[(dipropylamino)sulfonyl]-, Benzoic acid, <em>p</em>-(dipropylsulfamoyl)-, MeSH ID: D011339, NSC 18786, Probecid, Proben, Prolongine, Synergid R, Tubophan, Uricosid; object_uuid=fo-a0b9c5f00c744d24
cas_match_labels None {'57-66-9': 'exactMatch'} group_key=probenecid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'57-66-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a0b9c5f00c744d24: {'57-66-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "fe0acd60-3ddc-11dd-a09e-0050c2490048",
  "name": null,
  "cas_numbers": [
    "57-66-9"
  ],
  "ec_numbers": [
    "200-344-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
      "name": "Human toxicity, cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 5.9657e-7
    },
    {
      "method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
      "name": "Human toxicity, cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 5.9657e-7
    }
  ],
  "source": "EF 3.1",
  "identifier": "fe0acd60-3ddc-11dd-a09e-0050c2490048",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
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      "list_version": "3.1",
      "source_flow_uuid": "fe0acd60-3ddc-11dd-a09e-0050c2490048",
      "source_flow_name": "probenecid",
      "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 water",
          "Emissions to fresh water"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Probenecid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "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": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H19NO4S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:4911"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O",
        "CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_8426"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:4911"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DBABZHXKTCFAPX-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
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