Chem
J-GLOBAL ID：200907061550708204   Nikkaji number：J793.784I

(+)-Shikimic acid

(+)-シキミ酸
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： 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-/m0/s1
InChI key： JXOHGGNKMLTUBP-ZLUOBGJFSA-N
SMILES： O[C@H]1CC(=C[C@H](O)[C@@H]1O)C(=O)O
Systematic name  (4)：
  • 3α,4α,5β-トリヒドロキシ-1-シクロヘキセン-1-カルボン酸
  • (3S)-3α,4α,5β-トリヒドロキシ-1-シクロヘキセン-1-カルボン酸
  • (3S,4R,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
  • (3S,4R,5S)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
Other name (5)：
  • 3α,4α,5β-Trihydroxy-1-cyclohexene-1-carboxylic acid
  • (3S)-3α,4α,5β-Trihydroxy-1-cyclohexene-1-carboxylic acid
  • (3S,4R,5S)-3,4,5-Trihydroxycyclohexa-1-ene-1-carboxylic acid
  • (+)-シキミ酸
  • (+)-Shikimic acid
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