Chem
J-GLOBAL ID：200907060073487601   Nikkaji number：J2.752.958E

5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside

5-O-β-D-ガラクトピラノシル-1-O-(1H-インドール-3-イルアセチル)-L-myo-イノシトール
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： C22H29NO12
Molecular formula furigana： C22-H29-N-O12
Molecular weight： 499.469
InChI： InChI=1S/C22H29NO12/c24-7-11-13(26)14(27)18(31)22(33-11)35-21-17(30)15(28)16(29)20(19(21)32)34-12(25)5-8-6-23-10-4-2-1-3-9(8)10/h1-4,6,11,13-24,26-32H,5,7H2/t11-,13+,14+,15-,16+,17+,18-,19-,20+,21-,22+/m1/s1
InChI key： VHFRZSJSHFOBOM-BBHIQVKASA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O)[C@H](OC(=O)Cc3c[nH]c4ccccc34)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • 5-O-β-D-ガラクトピラノシル-1-O-(1H-インドール-3-イルアセチル)-L-myo-イノシトール
  • (1S,2S,3S,4S,5R,6S)-2,3,4,6-テトラヒドロキシ-5-{[(2S,3R,4S,5R,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}シクロヘキシル 2-(1H-インドール-3-イル)アセタート
  • (1S,2S,3S,4S,5R,6S)-2,3,4,6-tetrahydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 2-(1H-indol-3-yl)acetate
Other name (2)：
  • 5-O-β-D-Galactopyranosyl-1-O-(1H-indole-3-ylacetyl)-L-myo-inositol
  • 5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside
KEGG COMPOUND： C04695
Thsaurus map：
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