<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335362</id>
  <title nil="true"/>
  <common-name>Ethyl (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate</common-name>
  <description>Ethyl (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate is a chemical compound with the formula C23H22O13. With an average molecular weight of 506.40 g/mol, Ethyl (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate is a heavy molecule.</description>
  <cas>93753-28-7</cas>
  <pubchem-id>163078407</pubchem-id>
  <chemical-formula>C23H22O13</chemical-formula>
  <weight>506.4</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">2026-08-30T17:30:51Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:30:51Z</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>CCOC(=O)C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O</moldb-smiles>
  <moldb-formula>C23H22O13</moldb-formula>
  <moldb-inchi>InChI=1S/C23H22O13/c1-2-33-22(32)21-17(30)16(29)18(31)23(36-21)35-20-15(28)14-12(27)6-9(24)7-13(14)34-19(20)8-3-4-10(25)11(26)5-8/h3-7,16-18,21,23-27,29-31H,2H2,1H3/t16-,17-,18+,21-,23+/m0/s1</moldb-inchi>
  <moldb-inchikey>ARHZOOUFQQMDOW-USFRMQJTSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">506.1060408</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</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>CHEM331255</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>Ethyl (2s,3s,4s,5r,6s)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate</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>CED0285834</sync-id>
  <structure-inchikey>ARHZOOUFQQMDOW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80002000000800000000000000010100100000000000000000000000000000002000030000400000000001000000000000000100000008000400400000c02020000000000040000000000000020800004000180000000000040000000000000010000000000000000100000c00000000000000088000000000000100004000040000000000000000080000000800004001000000000020000400000000000000010000000000000080000000000000000800000100100400000000000000000000000002900000000000000000000000000002000000200000000000000800000000000000040000000000440000000000000008000000000080000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAkAAAAJwAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:04Z</structure-indexed-at>
</compound>
