Antirrhinin

Antirrhinin is an anthocyanin. It is the 3-rutinoside of cyanidin.

Antirrhinin
Names
IUPAC name
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxane-3,4,5-triol chloride
Other names
Keracyanin
Prunicyanin
Sambucin
Cyaninoside
Keraciannai
Keracyanine
Keracyaninum
Cyanidin 3-rutinoside
Cyanidin 3-O-rutinoside
Keracyanin chloride
cyanidin-3-rhamnoglucoside
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.038.646
KEGG
PubChem CID
UNII
  • InChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1 Y
    Key: ADZHXBNWNZIHIX-XYGAWYNKSA-N Y
  • InChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1
  • Key: ADZHXBNWNZIHIX-XYGAWYNKSA-N
SMILES
  • [Cl-].O(C[C@H]4O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2c1ccc(O)c(O)c1)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C
Properties
C27H31O15+, Cl−
Molar mass 630.97 g/mol (chloride)
595.52 g/mol (cation)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references
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