<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">352891</id>
  <title nil="true"/>
  <common-name>6-[2-(2-carboxyethyl)-3-[6-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]phenoxy]hexanoic acid</common-name>
  <description>6-[2-(2-carboxyethyl)-3-[6-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]phenoxy]hexanoic acid has the chemical formula C33H44O8. With an average molecular weight of 568.70 g/mol, 6-[2-(2-carboxyethyl)-3-[6-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]phenoxy]hexanoic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>9850974</pubchem-id>
  <chemical-formula>C33H44O8</chemical-formula>
  <weight>568.7</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">2026-08-31T19:27:19Z</created-at>
  <updated-at type="dateTime">2026-08-31T19:27:19Z</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>CCCC1=C(C=CC2=C1OCCC2=O)OCCCCCCC3=C(C(=CC=C3)OCCCCCC(=O)O)CCC(=O)O</moldb-smiles>
  <moldb-formula>C33H44O8</moldb-formula>
  <moldb-inchi>InChI=1S/C33H44O8/c1-2-11-27-30(18-16-26-28(34)20-23-41-33(26)27)40-21-8-4-3-6-12-24-13-10-14-29(25(24)17-19-32(37)38)39-22-9-5-7-15-31(35)36/h10,13-14,16,18H,2-9,11-12,15,17,19-23H2,1H3,(H,35,36)(H,37,38)</moldb-inchi>
  <moldb-inchikey>KLENIMLYAFNVOB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">568.3036184</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.7</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>CHEM348784</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>6-[2-(2-carboxyethyl)-3-[6-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy]hexyl]phenoxy]hexanoic 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>Organoheterocyclic compounds</superklass>
  <klass>Benzopyrans</klass>
  <subklass>1-benzopyrans</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0303175</sync-id>
  <structure-inchikey>KLENIMLYAFNVOB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2004000001000000000080020000000000000000000000000000000000000000000008000200002000000000800000000400000000000040000000000000000018000000000000000000000000000000002080000080010000000000000100000000002001000000000002c000000000000000020000020000000000000000000001000040000000800002000000010000000000800000000000001040001000010200100000000004000000080000002000000000080000000000000002010000000008000000040000001000000000000000000080000200600200000000000000000000000000000040000020010c00000000000020000000000000002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������)���+���€���`�������`�������`������@(������@(������@h�������@h�������@(������@(�������(�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`������@(������@(������@(������@h�������@h�������@h��������(�������`�������`�������`�������`�������`�������(�������(�������h��������`�������`�������(�������(�������h������������������h���h���h���h���h��	 	
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���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:50:35Z</structure-indexed-at>
</compound>
