Chem
J-GLOBAL ID:200907028345508220   Nikkaji number:J2.609.922F

Cyanidin 3-O-rutinoside 5-O-β-D-glucoside

シアニジン3-O-ルチノシド5-O-β-D-グルコシド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C33H41O19[O+]
Molecular formula furigana: C33-H41-O20
Molecular weight: 757.670
InChI: InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1
InChI key: DFJZNAHUOVEDQB-HWKLKBEVSA-O
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)cc4[o+]c3c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (4):
  • 3′,4′,7-トリヒドロキシ-3-(6-O-α-L-ラムノピラノシル-β-D-グルコピラノシルオキシ)-5-(β-D-グルコピラノシルオキシ)フラビリウム
  • 3-[(6-O-α-L-ラムノピラノシル-β-D-グルコピラノシル)オキシ]-5-(β-D-グルコピラノシルオキシ)-2-(3,4-ジヒドロキシフェニル)-7-ヒドロキシ-1-ベンゾピリリウム
  • 2-(3,4-ジヒドロキシフェニル)-7-ヒドロキシ-5-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2R,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)オキサン-2-イル]オキシ}-1λ4-クロメン-1-イリウム
  • 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ4-chromen-1-ylium
Other name (4):
  • 3′,4′,7-Trihydroxy-3-(6-O-α-L-rhamnopyranosyl-β-D-glucopyranosyloxy)-5-(β-D-glucopyranosyloxy)flavylium
  • 3-[(6-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzopyrylium
  • Cyanidin 3-O-rutinoside 5-O-β-D-glucoside
  • シアニジン3-O-ルチノシド5-O-β-D-グルコシド
CAS registry number: 135558-26-8
KEGG COMPOUND: C12646
Thsaurus map:

Return to Previous Page