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Substance Name: Quercetin 3-(6-O-galloylgalactoside)
RN: 53171-28-1
InChIKey: FMQQLXJREAGPHS-OJWSHTDTSA-N

Molecular Formula

  • C28-H24-O16

Molecular Weight

  • 616.4816
 
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Names and Synonyms

Results Name

  • Quercetin 3-(6-O-galloylgalactoside)

Synonyms

  • Hyperin 6''-gallate
  • Quercetin 3-(6-O-galloylgalactoside)
  • Quercetin 3-O-(6-O-galloyl)-beta-D-galactopyranoside

Systematic Name

  • Benzoic acid, 3,4,5-trihydroxy-, 6'-ester with 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one

Registry Numbers

CAS Registry Number

  • 53171-28-1

Other Registry Numbers

  • 124086-76-6
  • 56508-10-2

System Generated Number

  • 0053171281

Structure Descriptors

InChI

1S/C28H24O16/c29-11-6-14(32)19-17(7-11)42-25(9-1-2-12(30)13(31)3-9)26(22(19)37)44-28-24(39)23(38)21(36)18(43-28)8-41-27(40)10-4-15(33)20(35)16(34)5-10/h1-7,18,21,23-24,28-36,38-39H,8H2/t18-,21+,23+,24-,28+/m1/s1

InChIKey

FMQQLXJREAGPHS-OJWSHTDTSA-N

Smiles

O[C@H]1[C@@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@@H]1O