Chem
J-GLOBAL ID：200907085342070413   Nikkaji number：J768.598J

(4S,5S)-4,5-Dihydroxy-4-[2-(β-D-glucopyranosyloxy)ethyl]-2-cyclohexen-1-one

(4S,5S)-4,5-ジヒドロキシ-4-[2-(β-D-グルコピラノシルオキシ)エチル]-2-シクロヘキセン-1-オン
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： C14H22O9
Molecular formula furigana： C14-H22-O9
Molecular weight： 334.321
InChI： InChI=1S/C14H22O9/c15-6-8-10(18)11(19)12(20)13(23-8)22-4-3-14(21)2-1-7(16)5-9(14)17/h1-2,8-13,15,17-21H,3-6H2/t8-,9+,10-,11+,12-,13-,14-/m1/s1
InChI key： XNAJLGDVEHBLFR-GDJPEOAQSA-N
SMILES： OC[C@H]1O[C@@H](OCC[C@]2(O)C=CC(=O)C[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (4S,5S)-4,5-ジヒドロキシ-4-[2-(β-D-グルコピラノシルオキシ)エチル]-2-シクロヘキセン-1-オン
  • (4S,5S)-4,5-ジヒドロキシ-4-(2-{[(2R,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}エチル)シクロヘキサ-2-エン-1-オン
  • (4S,5S)-4,5-dihydroxy-4-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclohex-2-en-1-one
Other name (1)：
  • (4S,5S)-4,5-Dihydroxy-4-[2-(β-D-glucopyranosyloxy)ethyl]-2-cyclohexen-1-one
Thsaurus map：
Thesaurus Map

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