<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-01 06:44:32 UTC</creation_date>
  <update_date>2026-09-01 06:44:32 UTC</update_date>
  <accession/>
  <common_name>4-[(2s,3s,4r,5r,6r)-4,5-bis(3-carboxypropanoyloxy)-2-methyl-6-[[(2r,3r,4s,5r,6s)-3,4,5-tris(3-carboxypropanoyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-oxobutanoic acid</common_name>
  <class>SmallMolecule</class>
  <description>4-[(2s,3s,4r,5r,6r)-4,5-bis(3-carboxypropanoyloxy)-2-methyl-6-[[(2r,3r,4s,5r,6s)-3,4,5-tris(3-carboxypropanoyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-oxobutanoic acid is a chemical compound with the formula C51H54O34. With an average molecular weight of 1,211 g/mol, 4-[(2s,3s,4r,5r,6r)-4,5-bis(3-carboxypropanoyloxy)-2-methyl-6-[[(2r,3r,4s,5r,6s)-3,4,5-tris(3-carboxypropanoyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-4-oxobutanoic acid is a heavy molecule.

This substance has been found in or released from two recorded sources. These sources include Electrical &amp; Electronic Equipment, specifically thin magnetic films, as well as Building &amp; Construction, specifically tents or canopies.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C51H54O34</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>1210.249649</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>267006-02-0</cas_registry_number>
  <smiles>CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O</smiles>
  <inchi>InChI=1S/C51H54O34/c1-20-42(79-34(68)10-4-28(56)57)46(81-36(70)12-6-30(60)61)48(83-38(72)14-8-32(64)65)50(76-20)75-19-27-44(80-35(69)11-5-29(58)59)47(82-37(71)13-7-31(62)63)49(84-39(73)15-9-33(66)67)51(78-27)85-45-41(74)40-25(55)17-22(52)18-26(40)77-43(45)21-2-3-23(53)24(54)16-21/h2-3,16-18,20,27,42,44,46-55H,4-15,19H2,1H3,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)/t20-,27+,42-,44+,46+,47-,48+,49+,50+,51-/m0/s1</inchi>
  <inchikey>CNCZOAMEKQQFOA-HZQGBTCBSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>-1.3</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>1210.249649</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)OC(=O)CCC(=O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C51H54O34</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C51H54O34/c1-20-42(79-34(68)10-4-28(56)57)46(81-36(70)12-6-30(60)61)48(83-38(72)14-8-32(64)65)50(76-20)75-19-27-44(80-35(69)11-5-29(58)59)47(82-37(71)13-7-31(62)63)49(84-39(73)15-9-33(66)67)51(78-27)85-45-41(74)40-25(55)17-22(52)18-26(40)77-43(45)21-2-3-23(53)24(54)16-21/h2-3,16-18,20,27,42,44,46-55H,4-15,19H2,1H3,(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)/t20-,27+,42-,44+,46+,47-,48+,49+,50+,51-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CNCZOAMEKQQFOA-HZQGBTCBSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7273cf0de0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>10464056</pubchem_compound_id>
  <chembl_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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