Chem
J-GLOBAL ID：200907039285181090   Nikkaji number：J6.023B

Indican

インジカン
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： C14H17NO6
Molecular formula furigana： C14-H17-N-O6
Molecular weight： 295.291
InChI： InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14-/m1/s1
InChI key： XVARCVCWNFACQC-RKQHYHRCSA-N
SMILES： OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 1H-インドール-3-イルβ-D-グルコピラノシド
  • (2R,3S,4S,5R,6S)-2-(ヒドロキシメチル)-6-(1H-インドール-3-イルオキシ)オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
Other name (9)：
  • インジカン
  • Indican
  • 1H-Indol-3-yl β-D-glucopyranoside
  • 3-Indoxyl-D-glucoside
  • 3-インドール-D-グルコシド
Show all
CAS registry number： 487-60-5
KEGG COMPOUND： C08481
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