Chem
J-GLOBAL ID：200907033783018301   Nikkaji number：J1.149.382C

Esmeraldic acid

エスメラルド酸
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： C30H22N4O5
Molecular formula furigana： C30-H22-N4-O5
Molecular weight： 518.529
InChI： InChI=1S/C30H22N4O5/c1-13-15-6-3-10-20-28(15)34(21-11-5-8-17(29(36)37)25(21)32-20)22-12-18(30(38)39)26-27(23(13)22)33-24-16(14(2)35)7-4-9-19(24)31-26/h3-14,32,35H,1-2H3,(H,36,37)(H,38,39)
InChI key： WTSDJSFJEHPIOD-UHFFFAOYSA-N
SMILES： CC(O)c1cccc2nc3c(cc4n5c6cccc(C(=O)O)c6[nH]c6cccc(C(C)c4c3nc12)c56)C(=O)O
Systematic name  (3)：
  • 4,6′-エチリデン-6-(1-ヒドロキシエチル)-3,5′(10′H)-ビフェナジン-1,1′-ジカルボン酸
  • 11-(1-ヒドロキシエチル)-16-メチル-1,6,13,22-テトラアザヘプタシクロ[15.11.1.02,15.05,14.07,12.021,29.023,28]ノナコサ-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-トリデカエン-4,24-ジカルボン酸
  • 11-(1-hydroxyethyl)-16-methyl-1,6,13,22-tetraazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylic acid
Other name (3)：
  • 4,6′-Ethylidene-6-(1-hydroxyethyl)-3,5′(10′H)-biphenazine-1,1′-dicarboxylic acid
  • エスメラルド酸
  • Esmeraldic acid
KEGG COMPOUND： C12116
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