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Niclosamide

fo-53f35d4bfe84e0e3

Identity

Type
Neutral molecule
CAS
50-65-7
EC
200-056-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Niclosamide

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
molluscicide CHEBI:33904 A substance used to destroy pests of the phylum Mollusca. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

42

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RJMUSRYZPJIFPJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
IUPAC name chemrof:IUPAC_name 2',5-dichloro-2-hydroxy-4'-nitrobenzanilide
Molecular formula chemrof:molecular_formula C13H8Cl2N2O4
Molecular mass chemrof:molecular_mass 327.123
Monoisotopic mass chemrof:monoisotopic_mass 325.98611, 325.986112
SMILES string chemrof:smiles_string O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O

Known URLs

50

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=50-65-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7553 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.052 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.4322.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7040362 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB06803 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB06803 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1912 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1912 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=178296 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758440 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1448 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8KK8CQ2K8G enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015679 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.106H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D00436 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D00436 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-2787 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43707 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C66240 enrich_references.pubchem_identifier_url
pesticides pesticides:niclosamide enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA165958408 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/PX7KWXZRUQNK enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1448 enrich_references.pubchem_identifier_url
pmc pmc:PMC8308039 enrich_references.chebi_xrefs
pmc pmc:PMC8508655 enrich_references.chebi_xrefs
ppdb ppdb:1929 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4477 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=092503 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24900231 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33325188 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33772737 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33855343 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33860549 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33870260 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34038481 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34209118 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34332199 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34386088 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34429248 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34482191 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34483712 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34512959 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34517104 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34572856 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34638761 enrich_references.chebi_xrefs
reaxys reaxys:2820605 enrich_references.chebi_xrefs
vsdb vsdb:1929 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q418523 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Niclosamide enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
42a01c91-502e-46bf-91e1-68d6e50c3aa2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
35e41e20-03c4-4603-bfae-2904bf344454 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
409e1a14-dac0-4038-be4b-c3bc9435be2e Environmental → Air → Indoor EF 3.1 kg 2
7ef8fe95-97a1-4f6f-9d92-853aee82f343 Environmental → Air → Long-term EF 3.1 kg 0
091658aa-fba6-4709-8384-5c17a495353f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4f1f1cf7-ab40-45da-9d24-6fdcaeb80512 Environmental → Air → Unknown EF 3.1 kg 2
befeb03b-5b1f-49c4-a293-cc38c8c1d0f6 Environmental → Ground → Agricultural EF 3.1 kg 2
b483c769-4a4f-46ee-be26-fd83962b1429 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0cebc9395ddf30c2da4746852693d3cc492970ba Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
acaa06e4-d67a-4d56-8e9b-c8fb44b8dddd Environmental → Ground → Unknown EF 3.1 kg 2
523fe76b-cc43-4d01-a0f3-f0507df967aa Environmental → Water → Long-term EF 3.1 kg 0
134f4c04-0f12-413b-ba4a-82a574dc0045 Environmental → Water → Ocean EF 3.1 kg 2
7fda92ba-8b7e-4f31-984a-fdcd4f11f186 Environmental → Water → Surface water EF 3.1 kg 2
27d203f5-6936-4a16-8324-10182a8ceedb Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-53f35d4bfe84e0e3",
  "prefLabel": [
    {
      "@value": "Niclosamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2',5-dichloro-2-hydroxy-4'-nitrobenzanilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-chloro-4-nitrophenylamide-6-chlorosalicylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "5-chloro-2'-chloro-4'-nitrosalicylanilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "5-Chloro-2′-chloro-4′-nitrosalicylanilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-65-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "5-Chloro-N-(2′-chloro-4′-nitrophenyl)salicylamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Atenase",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Bayluscid",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=50-65-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-65-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cestocid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Cestocide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-65-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Devermin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Devermine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Fedal-Telmin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Fenasal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Helmiantin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Iomesan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Lintex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Mansonil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Mato",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "MeSH ID: D009534",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-65-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-65-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2'-chloro-4'-nitrophenyl)-5-chlorosalicylamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(2-chloro-4-nitrophenyl)-5-chlorosalicylamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(2′-Chloro-4′-nitrophenyl)-5-chlorosalicylamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:50-65-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=50-65-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nasemo",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Niclocide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "niclosamida",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "niclosamidum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phenasal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_7553"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
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