<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">120760</id>
  <title nil="true"/>
  <common-name>2-(3,4-Dihydroxyphenyl)-8-galactopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one</common-name>
  <description nil="true"/>
  <cas>1246091-00-8</cas>
  <pubchem-id>23757180</pubchem-id>
  <chemical-formula>C21H20O11</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-06T03:21:12Z</created-at>
  <updated-at type="dateTime">2026-04-06T03:21:12Z</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>OC[C@H]1OC([C@H](O)[C@@H](O)[C@H]1O)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1</moldb-smiles>
  <moldb-formula>C21H20O11</moldb-formula>
  <moldb-inchi>InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17+,18+,19-,21?/m1/s1</moldb-inchi>
  <moldb-inchikey>PLAPMLGJVGLZOV-RKNSFIPESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">448.38</moldb-average-mass>
  <moldb-mono-mass type="decimal">448.1005615</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>22912936</chemspider-id>
  <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>CHEM116653</chemdb-id>
  <dsstox-id>DTXSID201137575</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00096989</susdat-id>
  <iupac>(1xi)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-D-galactitol</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">1</paper-count>
  <sync-id>CED0067115</sync-id>
  <structure-inchikey>PLAPMLGJVGLZOV-RKNSFIPESA-N</structure-inchikey>
  <structure-fingerprint>2000000800000000040040000000000000000000002000000200000000000000030000000000000000000000000000000000000000000000000000000000000000000040000200400000020800200000000000000000000000000000000010000000000000000100000800000000000000008000000880000100004000000008000800000000000000000800000000000000000200000400000000000000000000000000000080000000000000000000000100100080208000000000000000000002900000000008000000000200000000000000200080000000010000000000810000040000000000040000080000000008000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ���������������� ���#���€���`�������`������ 4�������� ������`������ 4��������`������ 4��������`������ 4��������`������@(������@(������@(������@(������@h�������@(�������(������@(������@(�������h�������@h�������@(�������h�������@(������@h�������@(�������h�������@(�������h�������@h�������@h��������������������������������	�	
������h��h��h���h���h���(���h���h��� ��h���h��� �� ��h���h��� ��h��� ��h���h�	����h���h���h�B������	����������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:44:49Z</structure-indexed-at>
</compound>
