Chem
J-GLOBAL ID：200907003183575952   Nikkaji number：J1.099.375J

Valiolone

バリオロン
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： C7H12O6
Molecular formula furigana： C7-H12-O6
Molecular weight： 192.167
InChI： InChI=1S/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5+,6-,7-/m0/s1
InChI key： JCZFNXYQGNLHDQ-VZFHVOOUSA-N
SMILES： OC[C@@]1(O)CC(=O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (1S)-1,2β,3α,4β-テトラヒドロキシ-1α-ヒドロキシメチルシクロヘキサン-5-オン
  • (2R,3S,4S,5S)-2,3,4,5-テトラヒドロキシ-5-(ヒドロキシメチル)シクロヘキサン-1-オン
  • (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one
Other name (3)：
  • (1S)-1,2β,3α,4β-Tetrahydroxy-1α-hydroxymethylcyclohexane-5-one
  • バリオロン
  • Valiolone
KEGG COMPOUND： C12113
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