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Substance Name: Delphinidin 3-O-glucoside cation
RN: 50986-17-9
UNII: 8XEQ4P5O4Z
InChIKey: XENHPQQLDPAYIJ-PEVLUNPASA-O

Molecular Formula

  • C21-H21-O12

Molecular Weight

  • 465.3849
 
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Names and Synonyms

Name of Substance

  • Delphinidin 3-O-glucoside cation

Synonyms

  • Delphinidin 3-O-glucoside
  • Delphinidin 3-O-glucoside cation
  • UNII-8XEQ4P5O4Z

Registry Numbers

CAS Registry Number

  • 50986-17-9

FDA UNII

  • 8XEQ4P5O4Z

System Generated Number

  • 0050986179

Structure Descriptors

InChI

1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1

InChIKey

XENHPQQLDPAYIJ-PEVLUNPASA-O

Smiles

OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2c4cc(O)c(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O