Chem
J-GLOBAL ID：200907068126576300   Nikkaji number：J2.774.552K

cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol

5α,6α-ジヒドロキシ-α-メチル-1,3-シクロヘキサジエン-1-酢酸
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： C9H12O4
Molecular formula furigana： C9-H12-O4
Molecular weight： 184.191
InChI： InChI=1S/C9H12O4/c1-5(9(12)13)6-3-2-4-7(10)8(6)11/h2-5,7-8,10-11H,1H3,(H,12,13)/t5?,7-,8+/m0/s1
InChI key： VVVNXNZZTJUXDV-AKHXFSBVSA-N
SMILES： CC(C(=O)O)C1=CC=C[C@H](O)[C@@H]1O
Systematic name  (3)：
  • 5α,6α-ジヒドロキシ-α-メチル-1,3-シクロヘキサジエン-1-酢酸
  • 2-[(5S,6R)-5,6-ジヒドロキシシクロヘキサ-1,3-ジエン-1-イル]プロパン酸
  • 2-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid
Other name (2)：
  • 5α,6α-Dihydroxy-α-methyl-1,3-cyclohexadiene-1-acetic acid
  • cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
KEGG COMPOUND： C11456
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