<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">69159</id>
  <title nil="true"/>
  <common-name>Anhydromethylenecitric acid</common-name>
  <description>Anhydromethylenecitric acid belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid has the chemical formula C7H8O7 and an average molecular weight of 204.13 g/mol.</description>
  <cas>144-16-1</cas>
  <pubchem-id>8945</pubchem-id>
  <chemical-formula>C7H8O7</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">2026-04-03T14:37:25Z</created-at>
  <updated-at type="dateTime">2026-04-03T14:37:25Z</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>OC(=O)CC1(CC(O)=O)OCOC1=O</moldb-smiles>
  <moldb-formula>C7H8O7</moldb-formula>
  <moldb-inchi>InChI=1S/C7H8O7/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7/h1-3H2,(H,8,9)(H,10,11)</moldb-inchi>
  <moldb-inchikey>PXPMCAKTYKAROX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">204.134</moldb-average-mass>
  <moldb-mono-mass type="decimal">204.027003</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>8601</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>CHEM065052</chemdb-id>
  <dsstox-id>DTXSID60162592</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00024678</susdat-id>
  <iupac>2-[4-(carboxymethyl)-5-oxo-1,3-dioxolan-4-yl]acetic 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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Tricarboxylic acids and derivatives</subklass>
  <paper-count type="integer">5463536</paper-count>
  <sync-id>CED0000142</sync-id>
  <structure-inchikey>PXPMCAKTYKAROX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000000000000000000000000000000000000000000000000000020000000000000001004000000000000400000000000000000000000000000000000000000000000000020800000000000000000000000000000000000010000000002000000000000044000020000000000000000000000400000000008000000000000000001000001000000000000000000000000000000000000000000000004000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000020000000000000400000000000000000000840000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���h��������(�������(�������`������� ������`�������(�������h��������(������� ������`�������(�������(�������(�������� ��(��������������� ��(��	�	
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������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:18:59Z</structure-indexed-at>
</compound>
