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Substance Name: Cyanidin 3-sambubioside-5-glucoside
RN: 53925-33-0
UNII: M94D257QL1
InChIKey: UFUFUUOWFABDAK-JTEBGWLPSA-N

Molecular Formula

  • C32-H39-O20.Cl

Molecular Weight

  • 779.0931
 
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Names and Synonyms

Name of Substance

  • Cyanidin 3-sambubioside-5-glucoside

Synonyms

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-((2-o-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, chloride
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-((2-o-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)-, chloride (1:1)
  • 3-o-Sambubiosyl-5-O-glucosyl cyanidin
  • Cyanidin 3-(2-o-xylosylglucoside)-5-O-glucoside
  • Cyanidin 3-sambubioside-5-glucoside
  • UNII-M94D257QL1

Registry Numbers

CAS Registry Number

  • 53925-33-0

FDA UNII

  • M94D257QL1

System Generated Number

  • 0053925330

Structure Descriptors

InChI

1S/C32H38O20.ClH/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30;/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37);1H/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-;/m1./s1

InChIKey

UFUFUUOWFABDAK-JTEBGWLPSA-N

Smiles

[Cl-].OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)cc23)c6ccc(O)c(O)c6)[C@H](O)[C@@H](O)[C@@H]1O