<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">362912</id>
  <title nil="true"/>
  <common-name>5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione</common-name>
  <description>5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is a compound with the chemical formula C8H11NO4. It has an average molecular weight of 185.18 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>69407418</pubchem-id>
  <chemical-formula>C8H11NO4</chemical-formula>
  <weight>185.18</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">2026-09-01T12:21:09Z</created-at>
  <updated-at type="dateTime">2026-09-01T12:21:09Z</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 nil="true"/>
  <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>C1C2C(CC(C1O)O)C(=O)NC2=O</moldb-smiles>
  <moldb-formula>C8H11NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C8H11NO4/c10-5-1-3-4(2-6(5)11)8(13)9-7(3)12/h3-6,10-11H,1-2H2,(H,9,12,13)</moldb-inchi>
  <moldb-inchikey>PQLYGJDDGJPRPA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">185.0688078</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1.7</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>CHEM358805</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>5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione</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>Organoheterocyclic compounds</superklass>
  <klass>Isoindoles and derivatives</klass>
  <subklass>Isoindolines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0312960</sync-id>
  <structure-inchikey>PQLYGJDDGJPRPA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000020000400000000100000000000000000000000000000000000000000000000020000000000000000000000000000000000000010000000000400000000000000000020000000000000000000000100020000008000000000000200000000000000000000000000000000000400000000800000000000010000000080000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:59:47Z</structure-indexed-at>
</compound>
