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Substance Name: Violdelphin
RN: 126417-59-2
InChIKey: YODABPUZPVYDEF-CIBWSIAMSA-O

Note

  • The anthocyanin responsible for purplish blue flower color of Aconitum chinense.

Molecular Formula

  • C53-H59-O30

Molecular Weight

  • 1176.0191
 
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Names and Synonyms

Name of Substance

  • Violdelphin

Synonym

  • Delphinidin 3-rutinoside-7-O-(6-O-(4-(6-O-(4-hydroxybenzoyl)-beta-D-glucosyl)oxybenzoyl)-beta-D-glucoside)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 126417-59-2

System Generated Number

  • 0126417592

Structure Descriptors

InChI

1S/C53H58O30/c1-18-34(58)39(63)43(67)50(76-18)75-17-33-38(62)42(66)46(70)53(83-33)80-30-14-25-26(55)12-24(13-29(25)79-47(30)21-10-27(56)35(59)28(57)11-21)78-52-45(69)41(65)37(61)32(82-52)16-74-49(72)20-4-8-23(9-5-20)77-51-44(68)40(64)36(60)31(81-51)15-73-48(71)19-2-6-22(54)7-3-19/h2-14,18,31-34,36-46,50-53,58,60-70H,15-17H2,1H3,(H4-,54,55,56,57,59,71)/p+1/t18-,31+,32+,33+,34-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,50+,51+,52+,53+/m0/s1

InChIKey

YODABPUZPVYDEF-CIBWSIAMSA-O

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(cc(cc4[o+]c3c5cc(c(c(c5)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)c7ccc(cc7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COC(=O)c9ccc(cc9)O)O)O)O)O)O)O)O)O)O)O)O)O)O