<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">330745</id>
  <title nil="true"/>
  <common-name>[(2s,3r,4s,5r)-3,5-dihydroxy-2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-4-yl] acetate</common-name>
  <description>[(2s,3r,4s,5r)-3,5-dihydroxy-2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-4-yl] acetate is a chemical compound with the formula C22H20O12. It has an average molecular weight of 476.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>162909806</pubchem-id>
  <chemical-formula>C22H20O12</chemical-formula>
  <weight>476.4</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">2026-08-30T11:24:50Z</created-at>
  <updated-at type="dateTime">2026-08-30T11:24:50Z</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)OC1C(COC(C1O)OC2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O</moldb-smiles>
  <moldb-formula>C22H20O12</moldb-formula>
  <moldb-inchi>InChI=1S/C22H20O12/c1-8(23)32-19-13(27)7-31-22(17(19)30)34-20-12(26)6-11(25)14-15(28)16(29)18(33-21(14)20)9-2-4-10(24)5-3-9/h2-6,13,17,19,22,24-27,29-30H,7H2,1H3/t13-,17-,19+,22+/m1/s1</moldb-inchi>
  <moldb-inchikey>GCVSUIXSUGPZMN-MPXRCLKFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">476.0954761</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>CHEM326638</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>[(2s,3r,4s,5r)-3,5-dihydroxy-2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-4-yl] 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>CED0281290</sync-id>
  <structure-inchikey>GCVSUIXSUGPZMN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2008000000000000000040000000100000000200000000000000000008400000020000400400000000000000000000000000000000000000000004c00000000080000000000000000000020800000000100000000000040000000000000210000000000400000100000800000020000000000000000000000500010000040000000000000000200000000800000000044000000002000408000000000004010000020000000080000000000000000804000000100000000000000000000000000002940000000000000000000000000100002000200000020000002000000000000000040000000000410000002000000008000000000080200</structure-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:33:13Z</structure-indexed-at>
</compound>
