<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">320102</id>
  <title nil="true"/>
  <common-name>Methyl (e)-11-[6-(1-hydroperoxypropyl)-3,6-dihydro-1,2-dioxin-3-yl]undec-9-enoate</common-name>
  <description>Methyl (e)-11-[6-(1-hydroperoxypropyl)-3,6-dihydro-1,2-dioxin-3-yl]undec-9-enoate is a chemical compound with the formula C19H32O6. It has an average molecular weight of 356.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>5282891</pubchem-id>
  <chemical-formula>C19H32O6</chemical-formula>
  <weight>356.5</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">2026-08-29T18:51:34Z</created-at>
  <updated-at type="dateTime">2026-08-29T18:51:34Z</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>CCC(C1C=CC(OO1)CC=CCCCCCCCC(=O)OC)OO</moldb-smiles>
  <moldb-formula>C19H32O6</moldb-formula>
  <moldb-inchi>InChI=1S/C19H32O6/c1-3-17(23-21)18-15-14-16(24-25-18)12-10-8-6-4-5-7-9-11-13-19(20)22-2/h8,10,14-18,21H,3-7,9,11-13H2,1-2H3/b10-8+</moldb-inchi>
  <moldb-inchikey>NEFBFYIAKJRRAE-CSKARUKUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">356.2198887</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</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>CHEM315995</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>Methyl (e)-11-[6-(1-hydroperoxypropyl)-3,6-dihydro-1,2-dioxin-3-yl]undec-9-enoate</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>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0270857</sync-id>
  <structure-inchikey>NEFBFYIAKJRRAE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40020000000000000000800000000000000000000020000010000000000000000020000002000400040000000000000000004000000010000000000000000000000000000000000000000000800040000020800000000300000000000400000001000000010000000040000000000000000000208000000000000000000000100000000440000030080000000000010080000000000000000000000000001000800000000000000000080000002001004020000080000000000000000000000010800008000000000000000000000000000000000000000000000010010000000000000000000000000040000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������h��������h��������`������� ������ ������`�������h��������h��������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`������� ������`��������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:25:22Z</structure-indexed-at>
</compound>
