Chem
J-GLOBAL ID：200907035301458272   Nikkaji number：J2.371.231H

3-Carboxy-2-hydroxymuconate semialdehyde

3-カルボキシ-2-ヒドロキシムコン酸セミアルデヒド
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： C7H6O6
Molecular formula furigana： C7-H6-O6
Molecular weight： 186.119
InChI： InChI=1S/C7H6O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChI key： QTJJMXJJLLAWNP-UHFFFAOYSA-N
SMILES： OC(=O)C(=C(C=CC=O)C(=O)O)O
Systematic name  (3)：
  • 2-ヒドロキシ-3-(3-オキソ-1-プロペニル)-2-ブテン二酸
  • 2-ヒドロキシ-3-(3-オキソプロパ-1-エン-1-イル)ブタ-2-エン二酸
  • 2-hydroxy-3-(3-oxoprop-1-en-1-yl)but-2-enedioic acid
Other name (3)：
  • 2-Hydroxy-3-(3-oxo-1-propenyl)-2-butenedioic acid
  • 3-カルボキシ-2-ヒドロキシムコン酸セミアルデヒド
  • 3-Carboxy-2-hydroxymuconate semialdehyde
KEGG COMPOUND： C04480
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