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<compound>
  <id type="integer">137572</id>
  <title nil="true"/>
  <common-name>Menadione bisulfite</common-name>
  <description>Menadione bisulfite is an organic compound with the formula C11H10O5S and an average molecular weight of 254.26 g/mol. Menadione bisulfite belongs to the naphthoquinones, a subclass of naphthalenes within the organic compounds. It is categorized under the superclass of benzenoids. This compound has been identified in one recorded source, specifically associated with food preservation within food, food processing, and cookware.</description>
  <cas>130-36-9</cas>
  <pubchem-id>8536</pubchem-id>
  <chemical-formula>C11H10O5S</chemical-formula>
  <weight>254.26</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-14T20:31:07Z</created-at>
  <updated-at type="dateTime">2026-08-18T07:49:55Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB15944</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1(CC(=O)C2=C(C=CC=C2)C1=O)S(O)(=O)=O</moldb-smiles>
  <moldb-formula>C11H10O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)</moldb-inchi>
  <moldb-inchikey>WIXFIQKTHUVFDI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">254.26</moldb-average-mass>
  <moldb-mono-mass type="decimal">254.024894596</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.87</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM133465</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass>Naphthoquinones</subklass>
  <paper-count type="integer">1899</paper-count>
  <sync-id>CED0006680</sync-id>
  <structure-inchikey>WIXFIQKTHUVFDI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000000000420000080028000000000000000000000000000000000000000000000000000000000008000000000000020000000000000000000000001000000000000010000000000000000000000000000020008000020000080000000000000000048000000800000080000080000200000000100000000000000000020000080000000000000000000080000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000000400000000000000000008000000000</structure-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:50:27Z</structure-indexed-at>
</compound>
