<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">17641</id>
  <title nil="true"/>
  <common-name>Diphenolic acid</common-name>
  <description nil="true"/>
  <cas>126-00-1</cas>
  <pubchem-id>67174</pubchem-id>
  <chemical-formula>C17H18O4</chemical-formula>
  <weight>286.32</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">2016-05-22T03:36:19Z</created-at>
  <updated-at type="dateTime">2026-04-16T22:37:08Z</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>CC(CCC(O)=O)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1</moldb-smiles>
  <moldb-formula>C17H18O4</moldb-formula>
  <moldb-inchi>InChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)</moldb-inchi>
  <moldb-inchikey>VKOUCJUTMGHNOR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">286.327</moldb-average-mass>
  <moldb-mono-mass type="decimal">286.12050906</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>60518</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>CHEM016536</chemdb-id>
  <dsstox-id>DTXSID0022436</dsstox-id>
  <toxcast-id>22436</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>4,4-bis(4-hydroxyphenyl)pentanoic acid</iupac>
</compound>
