Chem
J-GLOBAL ID：201007060854649497   Nikkaji number：J2.783.704B

Coumermic acid

クメルム酸
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： C27H21N3O10
Molecular formula furigana： C27-H21-N3-O10
Molecular weight： 547.476
InChI： InChI=1S/C27H21N3O10/c1-9-14(24(35)29-18-20(33)12-4-6-15(31)10(2)22(12)39-26(18)37)8-28-17(9)25(36)30-19-21(34)13-5-7-16(32)11(3)23(13)40-27(19)38/h4-8,28,31-34H,1-3H3,(H,29,35)(H,30,36)
InChI key： KUACUXAJPDYURP-UHFFFAOYSA-N
SMILES： Cc1c(c[nH]c1C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O)C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O
Systematic name  (3)：
  • N,N′-ビス(4,7-ジヒドロキシ-8-メチル-2-オキソ-2H-1-ベンゾピラン-3-イル)-3-メチル-1H-ピロール-2,4-ジカルボアミド
  • N2,N4-ビス(4,7-ジヒドロキシ-8-メチル-2-オキソ-2H-クロメン-3-イル)-3-メチル-1H-ピロール-2,4-ジカルボキサミド
  • N2,N4-bis(4,7-dihydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-3-methyl-1H-pyrrole-2,4-dicarboxamide
Other name (3)：
  • N,N′-Bis(4,7-dihydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-3-methyl-1H-pyrrole-2,4-dicarboxamide
  • Coumermic acid
  • クメルム酸
KEGG COMPOUND： C12479
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