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Substance Name: Cyanidin 3-xylosyl(sinapoylglucosyl)galactoside
RN: 142630-71-5
UNII: 8BT80M6D9Y
InChIKey: LWQKGKRDBZVYNE-DBWHLQOESA-O

Molecular Formula

  • C43-H49-O24

Molecular Weight

  • 949.8361
 
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Names and Synonyms

Name of Substance

  • Cyanidin 3-xylosyl(sinapoylglucosyl)galactoside

Synonym

  • UNII-8BT80M6D9Y

Registry Numbers

CAS Registry Number

  • 142630-71-5

FDA UNII

  • 8BT80M6D9Y

System Generated Number

  • 0142630715

Structure Descriptors

InChI

1S/C43H48O24/c1-58-25-7-16(8-26(59-2)32(25)51)3-6-30(49)60-14-28-33(52)35(54)38(57)41(65-28)62-15-29-34(53)36(55)40(67-42-37(56)31(50)23(48)13-61-42)43(66-29)64-27-12-19-21(46)10-18(44)11-24(19)63-39(27)17-4-5-20(45)22(47)9-17/h3-12,23,28-29,31,33-38,40-43,48,50,52-57H,13-15H2,1-2H3,(H4-,44,45,46,47,49,51)/p+1/t23-,28-,29-,31+,33-,34+,35+,36+,37-,38-,40-,41-,42+,43-/m1/s1

InChIKey

LWQKGKRDBZVYNE-DBWHLQOESA-O

Smiles

COc1cc(cc(c1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)Oc4cc5c(cc(cc5[o+]c4c6ccc(c(c6)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)O)O)O