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<compound>
  <id type="integer">77482</id>
  <title nil="true"/>
  <common-name>Phenol, 2,6-bis[(2-hydroxy-3,5-dinonylphenyl)methyl]-4-nonyl-</common-name>
  <description>Phenol, 2,6-bis[(2-hydroxy-3,5-dinonylphenyl)methyl]-4-nonyl- belongs to the linear diarylheptanoids, a subclass of diarylheptanoids within the organic compounds. It is classified within the superclass of phenylpropanoids and polyketides. With an average molecular weight of 937.58 g/mol, Phenol, 2,6-bis[(2-hydroxy-3,5-dinonylphenyl)methyl]-4-nonyl- is a heavy molecule with the formula C65H108O3.</description>
  <cas>64131-28-8</cas>
  <pubchem-id>174021</pubchem-id>
  <chemical-formula>C65H108O3</chemical-formula>
  <weight>937.5</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">2026-04-04T09:55:00Z</created-at>
  <updated-at type="dateTime">2026-09-01T08:34:22Z</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>CCCCCCCCCC1=CC(CC2=CC(CCCCCCCCC)=CC(CC3=C(O)C(CCCCCCCCC)=CC(CCCCCCCCC)=C3)=C2O)=C(O)C(CCCCCCCCC)=C1</moldb-smiles>
  <moldb-formula>C65H108O3</moldb-formula>
  <moldb-inchi>InChI=1S/C65H108O3/c1-6-11-16-21-26-31-36-41-54-46-57(44-39-34-29-24-19-14-9-4)63(66)59(48-54)52-61-50-56(43-38-33-28-23-18-13-8-3)51-62(65(61)68)53-60-49-55(42-37-32-27-22-17-12-7-2)47-58(64(60)67)45-40-35-30-25-20-15-10-5/h46-51,66-68H,6-45,52-53H2,1-5H3</moldb-inchi>
  <moldb-inchikey>OQPIHNGDAXSXSZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">937.576</moldb-average-mass>
  <moldb-mono-mass type="decimal">936.829847</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>27.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>151847</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>CHEM073375</chemdb-id>
  <dsstox-id>DTXSID7070058</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00035647</susdat-id>
  <iupac>2-[[2-hydroxy-3-[[2-hydroxy-3,5-di(nonyl)phenyl]methyl]-5-nonylphenyl]methyl]-4,6-di(nonyl)phenol</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>Phenylpropanoids and polyketides</superklass>
  <klass>Diarylheptanoids</klass>
  <subklass>Linear diarylheptanoids</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0151874</sync-id>
  <structure-inchikey>OQPIHNGDAXSXSZ-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:25:11Z</structure-indexed-at>
</compound>
