<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">76885</id>
  <title nil="true"/>
  <common-name>3,4,5-Trihydroxybenzamide</common-name>
  <description nil="true"/>
  <cas>618-73-5</cas>
  <pubchem-id>69256</pubchem-id>
  <chemical-formula>C7H7N1O4</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-04T07:44:24Z</created-at>
  <updated-at type="dateTime">2026-04-04T07:44:24Z</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>NC(=O)C1=CC(O)=C(O)C(O)=C1</moldb-smiles>
  <moldb-formula>C7H7N1O4</moldb-formula>
  <moldb-inchi>InChI=1S/C7H7NO4/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2,9-11H,(H2,8,12)</moldb-inchi>
  <moldb-inchikey>RBQIPEJXQPQFJX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">169.136</moldb-average-mass>
  <moldb-mono-mass type="decimal">169.037508</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>62469</chemspider-id>
  <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>CHEM072778</chemdb-id>
  <dsstox-id>DTXSID80210802</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00034821</susdat-id>
  <iupac>3,4,5-trihydroxybenzamide</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>Phenols</klass>
  <subklass>Benzenetriols and derivatives</subklass>
  <paper-count type="integer">26</paper-count>
  <sync-id>CED0027887</sync-id>
  <structure-inchikey>RBQIPEJXQPQFJX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000800000000000000200000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000010000000000000000100000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000000000000000000000000000084000000000000000000000000000000000000000000000000000002100000000000000000000000000000100000000100000000000000000008000000040000000000400000000004000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���h��������(�������(������@(������@h�������@(�������h�������@(�������h�������@(�������h�������@h��������� ��(��� ��h���h��� ��h��� �	h�	
 	�h���h�B�������	�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:24:45Z</structure-indexed-at>
</compound>
