Chem
J-GLOBAL ID：200907029721453080   Nikkaji number：J1.549.411E

2-Descarboxybetanidin

2-デスカルボキシベタニジン
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： C17H17N[N+]O6
Molecular formula furigana： C17-H17-N2-O6
Molecular weight： 345.330
InChI： InChI=1S/C17H16N2O6/c20-14-7-10-2-4-19(13(10)8-15(14)21)3-1-9-5-11(16(22)23)18-12(6-9)17(24)25/h1,3,5,7-8,12H,2,4,6H2,(H4,20,21,22,23,24,25)/p+1/t12-/m0/s1
InChI key： GHQCCRRSVBDNAW-LBPRGKRZSA-O
SMILES： OC(=O)[C@@H]1CC(=CC=[N+]2CCc3cc(O)c(O)cc23)C=C(N1)C(=O)O
Systematic name  (3)：
  • (2S)-4-[2-[(2,3-ジヒドロ-5,6-ジヒドロキシ-1H-インドール-1-イウム)-1-イリデン]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
  • 1-{2-[(2S)-2,6-ジカルボキシ-1,2,3,4-テトラヒドロピリジン-4-イリデン]エチリデン}-5,6-ジヒドロキシ-2,3-ジヒドロ-1H-1λ5-インドール-1-イリウム
  • 1-{2-[(2S)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5,6-dihydroxy-2,3-dihydro-1H-1λ5-indol-1-ylium
Other name (3)：
  • (2S)-4-[2-[(2,3-Dihydro-5,6-dihydroxy-1H-indole-1-ium)-1-ylidene]ethylidene]-1,2,3,4-tetrahydro-2,6-pyridinedicarboxylic acid
  • 2-Descarboxybetanidin
  • 2-デスカルボキシベタニジン
KEGG COMPOUND： C17757
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM