Chem
J-GLOBAL ID：200907096724841373
Nikkaji number：J875.538H
5-epi-Shikimic acid
5-epi-シキミ酸
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： C7H10O5
Molecular formula furigana： C7-H10-O5
Molecular weight： 174.152
InChI：
InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5+,6-/m1/s1
InChI key：
JXOHGGNKMLTUBP-NGJCXOISSA-N
SMILES：
O[C@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)O
Systematic name (3)：
- (3R)-3β,4β,5β-トリヒドロキシ-1-シクロヘキセン-1-カルボン酸
- (3R,4S,5S)-3,4,5-トリヒドロキシシクロヘキサ-1-エン-1-カルボン酸
- (3R,4S,5S)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
- 5-epi-シキミ酸
- 5-epi-Shikimic acid
- (3R)-3β,4β,5β-Trihydroxy-1-cyclohexene-1-carboxylic acid
- (-)-5-epi-シキミ酸
- (-)-5-epi-Shikimic acid
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