<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">323665</id>
  <title nil="true"/>
  <common-name>5-[(2r,3r,5r,6s)-3-hydroxy-5-(1h-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxypentanoic acid</common-name>
  <description>5-[(2r,3r,5r,6s)-3-hydroxy-5-(1h-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxypentanoic acid is a chemical compound with the formula C20H25NO7. It has an average molecular weight of 391.40 g/mol.</description>
  <cas>1355681-34-3</cas>
  <pubchem-id>86289759</pubchem-id>
  <chemical-formula>C20H25NO7</chemical-formula>
  <weight>391.4</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">2026-08-30T00:26:19Z</created-at>
  <updated-at type="dateTime">2026-08-30T00:26:19Z</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>CC1C(CC(C(O1)OCCCCC(=O)O)O)OC(=O)C2=CNC3=CC=CC=C32</moldb-smiles>
  <moldb-formula>C20H25NO7</moldb-formula>
  <moldb-inchi>InChI=1S/C20H25NO7/c1-12-17(10-16(22)20(27-12)26-9-5-4-8-18(23)24)28-19(25)14-11-21-15-7-3-2-6-13(14)15/h2-3,6-7,11-12,16-17,20-22H,4-5,8-10H2,1H3,(H,23,24)/t12-,16+,17+,20+/m0/s1</moldb-inchi>
  <moldb-inchikey>PTAMECMDMIIEJC-XZVYQEECSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">391.1631021</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2</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>CHEM319558</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-[(2r,3r,5r,6s)-3-hydroxy-5-(1h-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxypentanoic 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>CED0274335</sync-id>
  <structure-inchikey>PTAMECMDMIIEJC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>c0000000000840000800000000100000040100000000000000000000000000000000000020000008000000000000004000000000000000000004000000000000000020000000000000000000000000020800000000100000020000000000000000002030001000000400000000000000000020000000000000000000020100000000040000000804002200200000000000000000100000000002040401000010800040010000000040000080000000000000000000000000000000000000000000008040000100000000000000000000000000000000000400200000001000000000000000000000041000000010440004080000000000100002000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`������� ������ ������`�������`�������`�������`�������(�������(�������h��������`�������(�������(�������(������@(������@h�������@8�������@(������@h�������@h�������@h�������@h�������@(�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:28:03Z</structure-indexed-at>
</compound>
