<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337074</id>
  <title nil="true"/>
  <common-name>5-chloro-3-[(2e,6e,8s)-9-[(2s)-3,3-dimethyloxiran-2-yl]-8-hydroxy-3,7-dimethylnona-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde</common-name>
  <description>5-chloro-3-[(2e,6e,8s)-9-[(2s)-3,3-dimethyloxiran-2-yl]-8-hydroxy-3,7-dimethylnona-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde is a chemical compound with the formula C23H31ClO5. It has an average molecular weight of 422.90 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>145944457</pubchem-id>
  <chemical-formula>C23H31ClO5</chemical-formula>
  <weight>422.9</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">2026-08-30T19:46:59Z</created-at>
  <updated-at type="dateTime">2026-08-30T19:46:59Z</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>CC1=C(C(=C(C(=C1Cl)O)CC=C(C)CCC=C(C)C(CC2C(O2)(C)C)O)O)C=O</moldb-smiles>
  <moldb-formula>C23H31ClO5</moldb-formula>
  <moldb-inchi>InChI=1S/C23H31ClO5/c1-13(7-6-8-14(2)18(26)11-19-23(4,5)29-19)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-,19-/m0/s1</moldb-inchi>
  <moldb-inchikey>DQMDYVQTDVZQLV-UZFWGDPLSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">422.1860018</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</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>CHEM332967</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-chloro-3-[(2e,6e,8s)-9-[(2s)-3,3-dimethyloxiran-2-yl]-8-hydroxy-3,7-dimethylnona-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0287522</sync-id>
  <structure-inchikey>DQMDYVQTDVZQLV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000000090000400000000000000000000000020000010000008000000000000000000000002040100004000400000401000001000810000000080000000000040000000000000010000002080000000020010000040000000000000000001000000000000000000000000000000000000000000000010081050000000004902800000000000000000000000040000000000500000000000002000000000000000000000000008000000000080000000000000000000000100000000000800000000200000000000000000001000000122a000000000000000000000000000000000000000000000000000000000000000000000000000002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAHgAAAIABBgBgAAAAAQMGQCgAAAAD
BAZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMEBkAoAAAAAwQRACAA
AAABCABoAAAAAwEBBgBgAAAAAgIGAGgAAAADAwEGACgAAAADBAYAYAAAAAED
BgBgAAAAAgIGAGAAAAACAgYAaAAAAAMDAQYAKAAAAAMEBgBgAAAAAQMGAGAA
AAADAQYAYAAAAAICBgBgAAAAAwEGACAAAAAECAAgAAAAAgYAYAAAAAEDBgBg
AAAAAQMIAGAAAAABAQgAaAAAAAMBAQYAaAAAAAMDAQgAKAAAAAMCCwABAAEC
aAwCA2gMAwRoDAQFaAwFBmgMBgcABQggBAkACQoACgsIAgsMAAsNAA0OAA4P
AA8QCAIQEQAQEgASEwATFAAUFQAVFgAVFwAVGAASGQADGiACGyAbHCgCBgFo
DBYUAEICAAAABgEGBQQDAgMVFBYXBAAAAAAAAAAW
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:18Z</structure-indexed-at>
</compound>
