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Hydrochlorothiazide

fo-9f550d725bc7f101

Identity

Type
Neutral molecule
CAS
58-93-5
EC
200-403-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Hydrochlorothiazide

What it is used for

1

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

90

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string JZUFKLXOESDKRF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
IUPAC name chemrof:IUPAC_name 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Molecular formula chemrof:molecular_formula C7H8ClN3O4S2
Molecular mass chemrof:molecular_mass 297.745
Monoisotopic mass chemrof:monoisotopic_mass 296.964475, 296.96448
SMILES string chemrof:smiles_string NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O

Known URLs

33

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=58-93-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5778 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.367 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020713 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00999 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00999 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1385 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1385 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=53477 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757059 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL435 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0J48LPH2TH enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0001928 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/C07041 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00340 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07041 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00340 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-5308 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37935 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29098 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:HCZ enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA449899 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/26SQGNMSGNQT enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL435 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3639 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=124817 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24055851 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24657333 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24849193 enrich_references.chebi_xrefs
reaxys reaxys:625101 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/5487 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q423930 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Hydrochlorothiazide enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
681e02bb-39df-4a6a-b024-0b78a98c69ae Environmental → Air → Aircraft cruise height EF 3.1 kg 0
5878ba54-a02d-4664-9682-466de180b8ce Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
705467b0-5a69-44a6-a38e-73179cc354ba Environmental → Air → Indoor EF 3.1 kg 0
c4a3fac8-71b0-4682-827f-3b2687e24837 Environmental → Air → Long-term EF 3.1 kg 0
a6bd15e5-4f7f-4fca-bf70-c43ca2e3805e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
1cf1823a-5e44-4c76-a324-d97062edde87 Environmental → Air → Unknown EF 3.1 kg 0
d6fb5916-8a19-42ad-a8f7-af9181076943 Environmental → Ground → Agricultural EF 3.1 kg 0
90eac7b3-2a4c-4aab-b34e-7d665fefe52a Environmental → Ground → Non-agricultural EF 3.1 kg 0
15ac8013-8f95-494c-a84b-e24296001fa4 Environmental → Ground → Unknown EF 3.1 kg 0
0f4e776c-03eb-414c-99a5-ae43ba687aa4 Environmental → Water → Long-term EF 3.1 kg 0
2a93e271-c4ef-470a-844d-0377db866ea2 Environmental → Water → Ocean EF 3.1 kg 0
5c6a516b-20af-4d4a-8983-d216254adc55 Environmental → Water → Surface water EF 3.1 kg 0
ff97bfb4-a8a7-4244-8e21-4d11cebff0fd Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9f550d725bc7f101",
  "prefLabel": [
    {
      "@value": "Hydrochlorothiazide",
      "@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": "2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,4-Dihydrochlorothiazide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",
      "@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_5778"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "6-Chloro-7-sulfamoyl-3,4-dihydrobenzo-1,2,4-thiadiazine-1,1-dioxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acuretic",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Apo-Hydro",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "Apresazide",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aquarius",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aquazide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aquazide H",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Caplaril",
      "@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=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carozide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chlorosulthiadil",
      "@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=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chlorsulthiadil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Clorana",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Clothia",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dichlothiazide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dichlotiazid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dichlotride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dichlozid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diclotride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Didralin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dihydrochlorothiazide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dihydrochlorothiazidum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dihydrochlorurit",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dihydrochlorurite",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disalunil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disothiazide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diuret-P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:58-93-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diurizid",
      "@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=58-93-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Drenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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