Chem
J-GLOBAL ID:200907049315099837   Nikkaji number:J1.108.513J

Cappariloside A

カッパリロシドA
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: C16H18N2O6
Molecular formula furigana: C16-H18-N2-O6
Molecular weight: 334.328
InChI: InChI=1S/C16H18N2O6/c17-5-4-8-6-18-9-2-1-3-10(12(8)9)23-16-15(22)14(21)13(20)11(7-19)24-16/h1-3,6,11,13-16,18-22H,4,7H2/t11-,13-,14+,15-,16-/m1/s1
InChI key: ZVFUTZQNUQUJLW-YMILTQATSA-N
SMILES: OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(CC#N)c23)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • 4-(β-D-グルコピラノシルオキシ)-1H-インドール-3-アセトニトリル
  • 2-(4-{[(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}-1H-インドール-3-イル)アセトニトリル
  • 2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetonitrile
Other name (3):
  • 4-(β-D-Glucopyranosyloxy)-1H-indole-3-acetonitrile
  • Cappariloside A
  • カッパリロシドA
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