<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">348074</id>
  <title nil="true"/>
  <common-name>[(2r,3r)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2h-chromen-3-yl] benzoate</common-name>
  <description>[(2r,3r)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2h-chromen-3-yl] benzoate is a compound with the formula C28H28O12. With an average molecular weight of 556.50 g/mol, [(2r,3r)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2h-chromen-3-yl] benzoate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>10392940</pubchem-id>
  <chemical-formula>C28H28O12</chemical-formula>
  <weight>556.5</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">2026-08-31T11:57:32Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:57:32Z</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>C1C(C(OC2=C1C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)OC(=O)C5=CC=CC=C5</moldb-smiles>
  <moldb-formula>C28H28O12</moldb-formula>
  <moldb-inchi>InChI=1S/C28H28O12/c29-12-22-23(33)24(34)25(35)28(40-22)39-20-10-15(30)9-19-16(20)11-21(38-27(36)13-4-2-1-3-5-13)26(37-19)14-6-7-17(31)18(32)8-14/h1-10,21-26,28-35H,11-12H2/t21-,22-,23-,24+,25-,26-,28-/m1/s1</moldb-inchi>
  <moldb-inchikey>BZAMUAIUOGNDPV-FITCNNEASA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">556.1580763</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM343967</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,3r)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2h-chromen-3-yl] benzoate</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>CED0298410</sync-id>
  <structure-inchikey>BZAMUAIUOGNDPV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000800000000280000040000100000000000002010000000000000000020010000000008040000004000000800000000000000000400000000800000000000000040002200000000020800000020180000000000042000000000002010000000200006000100000000000020000000000000000000000100004000000000000800000000200000000000000000100000000200000400001000000000010000000000000085000000000000000000000100100000008000040000000000000002100000000000000008000000000000000000200080000000010000000000800000040000000400440000000000020404000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAoAAAALAAAAIABBgBgAAAAAgIGAGAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:34Z</structure-indexed-at>
</compound>
