Chem
J-GLOBAL ID：200907039266560501   Nikkaji number：J796.688A

GHB

3-ゲラニル-4-ヒドロキシ安息香酸
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： C17H22O3
Molecular formula furigana： C17-H22-O3
Molecular weight： 274.360
InChI： InChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)7-8-14-11-15(17(19)20)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3,(H,19,20)/b13-7+
InChI key： HKIMBCGCVPYUTJ-NTUHNPAUSA-N
SMILES： CC(=CCC/C(=C/Cc1cc(ccc1O)C(=O)O)/C)C
Systematic name  (4)：
  • 3-[(E)-3,7-ジメチル-2,6-オクタジエニル]-4-ヒドロキシ安息香酸
  • 3-[(2E)-3,7-ジメチル-2,6-オクタジエニル]-4-ヒドロキシ安息香酸
  • 3-[(2E)-3,7-ジメチルオクタ-2,6-ジエン-1-イル]-4-ヒドロキシ安息香酸
  • 3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxybenzoic acid
Other name (5)：
  • 3-[(E)-3,7-Dimethyl-2,6-octadienyl]-4-hydroxybenzoic acid
  • 3-[(2E)-3,7-Dimethyl-2,6-octadienyl]-4-hydroxybenzoic acid
  • 3-ゲラニル-4-ヒドロキシ安息香酸
  • 3-Geranyl-4-hydroxybezoic acid
  • GHB
KEGG COMPOUND： C18131
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