Chem
J-GLOBAL ID：200907075799418568
Nikkaji number：J1.312.070F
(1-13C)-D-myo-Inositol
(1-13C)-D-myo-イノシトール
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
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
Molecular formula： C5[13C]H12O6
Molecular formula furigana： C6-H12-O6
Molecular weight： 181.148
InChI：
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5?,6-/m1/s1/i1+1/t1?,2-,3-,4-,5+,6+/m0
InChI key：
CDAISMWEOUEBRE-JPEXLUPUSA-N
SMILES：
O[C@H]1[C@H](O)[C@@H](O)[13CH](O)[C@H](O)[C@@H]1O
Systematic name (3)：
- (1-13C)-D-myo-イノシトール
- (2R,3R,4S,5S,6R)-(1-13C)シクロヘキサン-1,2,3,4,5,6-ヘキサオール
- (2R,3R,4S,5S,6R)-(1-13C)cyclohexane-1,2,3,4,5,6-hexol
- (1-13C)-D-myo-Inositol
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