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<compound>
  <id type="integer">338862</id>
  <title nil="true"/>
  <common-name>3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxochromen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid</common-name>
  <description>3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxochromen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid is a chemical compound with the formula C24H22O13. With an average molecular weight of 518.40 g/mol, 3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxochromen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>443914</pubchem-id>
  <chemical-formula>C24H22O13</chemical-formula>
  <weight>518.4</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">2026-08-30T22:01:27Z</created-at>
  <updated-at type="dateTime">2026-08-30T22:01:27Z</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>C1=CC(=CC=C1C2=C(C=C3C(=CC(=O)C=C3O2)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O</moldb-smiles>
  <moldb-formula>C24H22O13</moldb-formula>
  <moldb-inchi>InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24-25,27,31-33H,8-9H2,(H,28,29)/t17-,20-,21+,22-,24-/m1/s1</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">518.1060408</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1.1</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>CHEM334755</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>3-oxo-3-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxochromen-3-yl]oxyoxan-2-yl]methoxy]propanoic 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>Phenylpropanoids and polyketides</superklass>
  <klass>Flavonoids</klass>
  <subklass>Flavonoid glycosides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289288</sync-id>
  <structure-inchikey>DCYKZMKXMNSTHX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1010000000200000e00000000040000010000000000000000002000000000000000000008020000000008000000004000000000000000000001000400000000800000000000000000000200000000822800000000180000000000040008000000000010000000000000000100000800002000000200000000000000000100004000000000000000000000000800080800000000040000000000000400000000000404010000000000000082000000000040000000000000100000000000000000000000000002900000000000000000000100000000000400200000020000000000000000800000042000000000440000000000020400000000000080000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:39:30Z</structure-indexed-at>
</compound>
