<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">346362</id>
  <title nil="true"/>
  <common-name>[(2r,3s,4s,5r,6s)-3,5-diacetyloxy-6-[[2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-4-hydroxyoxan-2-yl]methyl acetate</common-name>
  <description>[(2r,3s,4s,5r,6s)-3,5-diacetyloxy-6-[[2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-4-hydroxyoxan-2-yl]methyl acetate is a compound with the formula C27H26O14. With an average molecular weight of 574.50 g/mol, [(2r,3s,4s,5r,6s)-3,5-diacetyloxy-6-[[2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-4-hydroxyoxan-2-yl]methyl acetate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>163059323</pubchem-id>
  <chemical-formula>C27H26O14</chemical-formula>
  <weight>574.5</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">2026-08-31T09:46:53Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:46:53Z</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)OCC1C(C(C(C(O1)OC2=C(C3=C(C=C2)C(=O)C(=CC4=CC(=C(C=C4)O)O)O3)O)OC(=O)C)O)OC(=O)C</moldb-smiles>
  <moldb-formula>C27H26O14</moldb-formula>
  <moldb-inchi>InChI=1S/C27H26O14/c1-11(28)36-10-20-25(37-12(2)29)23(35)26(38-13(3)30)27(41-20)40-18-7-5-15-21(33)19(39-24(15)22(18)34)9-14-4-6-16(31)17(32)8-14/h4-9,20,23,25-27,31-32,34-35H,10H2,1-3H3/t20-,23+,25-,26-,27-/m1/s1</moldb-inchi>
  <moldb-inchikey>NINVIEQDXJUHKJ-YYZWBCLOSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">574.1322555</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.5</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>CHEM342255</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>[(2r,3s,4s,5r,6s)-3,5-diacetyloxy-6-[[2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-4-hydroxyoxan-2-yl]methyl 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>Phenylpropanoids and polyketides</superklass>
  <klass>Flavonoids</klass>
  <subklass>Flavonoid glycosides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0296715</sync-id>
  <structure-inchikey>NINVIEQDXJUHKJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000802000008002000000000000100000000000003000060000000100000040000000300000000081000000000000000000000000000000010000000048000000000800000400002000000000208000008003000000000000000000000000000100000000020000001000000000000000000000000100000000005000100000400000000000000002008000000000401000000000000000084000000002000000100000000000000a0000000000000000000000180100000000000000000000000000006100000000000000000100004000000001202200000000000000200000000000000040000000000440000002000020400000000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:45:07Z</structure-indexed-at>
</compound>
