<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">345278</id>
  <title nil="true"/>
  <common-name>(e)-11-[(2r,3r,5r,6s)-3-hydroxy-5-(1h-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxyundec-2-enoic acid</common-name>
  <description>(e)-11-[(2r,3r,5r,6s)-3-hydroxy-5-(1h-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxyundec-2-enoic acid is a chemical compound with the formula C26H35NO7. It has an average molecular weight of 473.60 g/mol.</description>
  <cas>1355683-16-7</cas>
  <pubchem-id>86289763</pubchem-id>
  <chemical-formula>C26H35NO7</chemical-formula>
  <weight>473.6</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">2026-08-31T07:53:45Z</created-at>
  <updated-at type="dateTime">2026-08-31T07:53:45Z</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>CC1C(CC(C(O1)OCCCCCCCCC=CC(=O)O)O)OC(=O)C2=CNC3=CC=CC=C32</moldb-smiles>
  <moldb-formula>C26H35NO7</moldb-formula>
  <moldb-inchi>InChI=1S/C26H35NO7/c1-18-23(34-25(31)20-17-27-21-13-10-9-12-19(20)21)16-22(28)26(33-18)32-15-11-7-5-3-2-4-6-8-14-24(29)30/h8-10,12-14,17-18,22-23,26-28H,2-7,11,15-16H2,1H3,(H,29,30)/b14-8+/t18-,22+,23+,26+/m0/s1</moldb-inchi>
  <moldb-inchikey>CSYZPSXDHSFGRE-JMPAYUSGSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">473.2413525</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.9</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>CHEM341171</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>(e)-11-[(2r,3r,5r,6s)-3-hydroxy-5-(1h-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxyundec-2-enoic 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>Indoles and derivatives</klass>
  <subklass>Indolecarboxylic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0295638</sync-id>
  <structure-inchikey>CSYZPSXDHSFGRE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>c00010000008400008000000001000000401000000000000000000000000000000000000200000080000000000000840040000000000000000040000000000000000200000000000000000000000000208000000003000000200000000000010000020300010000004000000000000000000200000000000080000000201000000000400000008040002002000100000000000001000000000020404000000008000400100000000c0000080000000000000080000000100000000000000800000000040000100000000000000000000000000000000000000200000001000000000000000000000041000000010440004080000000000100002000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������"���$���€���`�������`�������`�������`�������`�������`������� ������ ������`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������(�������(�������h��������`�������(�������(�������(������@(������@h�������@8�������@(������@h�������@h�������@h�������@h�������@(�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:44:23Z</structure-indexed-at>
</compound>
