Chem
J-GLOBAL ID：200907031850258352   Nikkaji number：J678.271J

cis-2-Methylaconitate

cis-2-メチルアコニット酸
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： C7H8O6
Molecular formula furigana： C7-H8-O6
Molecular weight： 188.135
InChI： InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-3-
InChI key： NUZLRKBHOBPTQV-ARJAWSKDSA-N
SMILES： C/C(=C(\CC(=O)O)/C(=O)O)/C(=O)O
Systematic name  (3)：
  • (Z)-2-ブテン-1,2,3-トリカルボン酸
  • (1Z)-1-メチルプロパ-1-エン-1,2,3-トリカルボン酸
  • (1Z)-1-methylprop-1-ene-1,2,3-tricarboxylic acid
Other name (4)：
  • (Z)-2-Butene-1,2,3-tricarboxylic acid
  • (Z)-But-2-ene-1,2,3-tricarboxylate
  • cis-2-Methylaconitate
  • cis-2-メチルアコニット酸
KEGG COMPOUND： C04225
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