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Substance Name: Delphinidin-3-rutinoside
RN: 15674-58-5
UNII: 6I4SV29842
InChIKey: ZOQQFMKYEOHRMC-KFOCXKDFSA-N

Note

  • Anthocyanin from eggplant skin.

Molecular Formula

  • C27-H31-O16.Cl

Molecular Weight

  • 646.979
 
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Names and Synonyms

Name of Substance

  • Delphinidin-3-rutinoside

Synonym

  • UNII-6I4SV29842

Systematic Name

  • 1-Benzopyrylium, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride

Registry Numbers

CAS Registry Number

  • 15674-58-5

FDA UNII

  • 6I4SV29842

System Generated Number

  • 0015674585

Structure Descriptors

InChI

1S/C27H30O16.ClH/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9;/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33);1H/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+;/m0./s1

InChIKey

ZOQQFMKYEOHRMC-KFOCXKDFSA-N

Smiles

[o+]1c(c(cc2c1cc(cc2O)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O1)C)c1cc(c(c(c1)O)O)O.[ClH-]