Chem
J-GLOBAL ID：200907035565436447   Nikkaji number：J2.766.283H

Muscaaurin II

ムスカアウリンII
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： C18H16N2O10
Molecular formula furigana： C18-H16-N2-O10
Molecular weight： 420.330
InChI： InChI=1S/C18H16N2O10/c21-14-7-9(6-13(30-14)18(28)29)5-10(15(22)23)19-2-1-8-3-11(16(24)25)20-12(4-8)17(26)27/h1-3,6-7,10,12,20H,4-5H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)/b8-1-,19-2?/t10-,12-/m0/s1
InChI key： XWXLDVGDOHFZSG-KPRBQMARSA-N
SMILES： OC(=O)[C@H](Cc1cc(oc(=O)c1)C(=O)O)N=C/C=C/1\C[C@H](NC(=C1)C(=O)O)C(=O)O
Systematic name  (3)：
  • (2S,4E)-4-[2-[[(1S)-1-カルボキシ-2-(6-カルボキシ-2-オキソ-2H-ピラン-4-イル)エチル]イミノ]エチリデン]-1,2,3,4-テトラヒドロ-2,6-ピリジンジカルボン酸
  • (2S,4E)-4-(2-{[(1S)-1-カルボキシ-2-(6-カルボキシ-2-オキソ-2H-ピラン-4-イル)エチル]イミノ}エチリデン)-1,2,3,4-テトラヒドロピリジン-2,6-ジカルボン酸
  • (2S,4E)-4-(2-{[(1S)-1-carboxy-2-(6-carboxy-2-oxo-2H-pyran-4-yl)ethyl]imino}ethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid
Other name (4)：
  • (2S,4E)-4-[2-[[(1S)-1-Carboxy-2-(6-carboxy-2-oxo-2H-pyran-4-yl)ethyl]imino]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid
  • Musca-aurin-II
  • Muscaaurin II
  • ムスカアウリンII
CAS registry number： 12624-17-8
KEGG COMPOUND： C08560
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