<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">339644</id>
  <title nil="true"/>
  <common-name>[2-oxo-2-[[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]amino]ethyl] acetate</common-name>
  <description>[2-oxo-2-[[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]amino]ethyl] acetate is a compound with the formula C24H27NO8. It has an average molecular weight of 457.50 g/mol.</description>
  <cas>86436-34-2</cas>
  <pubchem-id>3070436</pubchem-id>
  <chemical-formula>C24H27NO8</chemical-formula>
  <weight>457.5</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">2026-08-30T23:00:08Z</created-at>
  <updated-at type="dateTime">2026-08-30T23:00:08Z</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>CC(=O)OCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC</moldb-smiles>
  <moldb-formula>C24H27NO8</moldb-formula>
  <moldb-inchi>InChI=1S/C24H27NO8/c1-13(26)33-12-21(28)25-17-8-6-14-10-20(30-3)23(31-4)24(32-5)22(14)15-7-9-19(29-2)18(27)11-16(15)17/h7,9-11,17H,6,8,12H2,1-5H3,(H,25,28)/t17-/m0/s1</moldb-inchi>
  <moldb-inchikey>DNAPDFFFLMHKOX-KRWDZBQOSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">457.1736668</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1</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>CHEM335537</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>[2-oxo-2-[[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]amino]ethyl] acetate</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>Hydrocarbon derivatives</superklass>
  <klass>Tropones</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0290064</sync-id>
  <structure-inchikey>DNAPDFFFLMHKOX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000080020000000000001002000000800000000000000040000000000000002000040000800000005000000000000000000000000004000000000000000000000000000000000000002000000080010000400000000000000000000001080000004200000010000010a000020000040000000000000000501010000040000000000000000000000080000000000000000000080000000000000000000804000000000000080000000000000002000000000000100000000080000000000000010000000000000000024020000000000000201200000000000000000000400000000040000800000400000080000020000000880000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAhAAAAIwAAAIABBgBgAAAAAQMGACgAAAAD
BAgAKAAAAAMCCAAoAAAAAwIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIHAGgA
AAADAgEGAGAAAAADAQYAYAAAAAICBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMD
AQZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMEBkAoAAAAAwQGQGgA
AAADAwEGQGgAAAADAwEGQCgAAAADBAZAKAAAAAMECAAoAAAAAwIGQGgAAAAD
AwEGQCgAAAADBAgAKAAAAAMCBgBgAAAAAQMIACgAAAADAgYAYAAAAAEDCAAo
AAAAAwIGAGAAAAABAwgAKAAAAAMCBgBgAAAAAQMLAAEAAQIoAgEDIAMEAAQF
AAUGKAIFByAHCAAICQAJCgAKCwALDGgMDA1oDA0OaAwOD2gMDxBoDBARIBES
aAwSE2gMExRoDBQVaAwVFigCFRdoDBcYaAwUGSAZGgAPGyAbHAAOHSAdHgAN
HyAfIAAYCAAQC2gMGBFoDEIDAAAABwgJCgsQERgGDA0ODxALBxIRGBcVFBMX
BAAAAAAAAAAW
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:40:05Z</structure-indexed-at>
</compound>
