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Substance Name: Cyanidin 3-xylosyl(feruloylglucosyl)galactoside
RN: 142561-99-7
UNII: 9O2Q20ZHT0
InChIKey: MUQNMJSHMPEZCV-JHCRVGSQSA-O

Molecular Formula

  • C42-H47-O23

Molecular Weight

  • 919.8103
 
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Names and Synonyms

Name of Substance

  • Cyanidin 3-xylosyl(feruloylglucosyl)galactoside

Synonym

  • UNII-9O2Q20ZHT0

Registry Numbers

CAS Registry Number

  • 142561-99-7

FDA UNII

  • 9O2Q20ZHT0

System Generated Number

  • 0142561997

Structure Descriptors

InChI

1S/C42H46O23/c1-57-26-8-16(2-5-21(26)45)3-7-30(49)58-14-28-32(51)34(53)37(56)40(63-28)60-15-29-33(52)35(54)39(65-41-36(55)31(50)24(48)13-59-41)42(64-29)62-27-12-19-22(46)10-18(43)11-25(19)61-38(27)17-4-6-20(44)23(47)9-17/h2-12,24,28-29,31-37,39-42,48,50-56H,13-15H2,1H3,(H4-,43,44,45,46,47,49)/p+1/t24-,28-,29-,31+,32-,33+,34+,35+,36-,37-,39-,40-,41+,42-/m1/s1

InChIKey

MUQNMJSHMPEZCV-JHCRVGSQSA-O

Smiles

COc1cc(ccc1O)/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