Chem
J-GLOBAL ID：200907010220410868   Nikkaji number：J19.881A

Gentianamine

ゲンチアナミン
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： C11H11NO3
Molecular formula furigana： C11-H11-N-O3
Molecular weight： 205.213
InChI： InChI=1S/C11H11NO3/c1-2-7-3-12-4-9-10(7)8(5-13)6-15-11(9)14/h2-4,8,13H,1,5-6H2
InChI key： PGWRAJMYNMYBFM-UHFFFAOYSA-N
SMILES： OCC1COC(=O)c2cncc(C=C)c12
Systematic name  (3)：
  • 3,4-ジヒドロ-4-ヒドロキシメチル-5-ビニル-1H-ピラノ[3,4-c]ピリジン-1-オン
  • 5-エテニル-4-(ヒドロキシメチル)-1H,3H,4H-ピラノ[3,4-c]ピリジン-1-オン
  • 5-ethenyl-4-(hydroxymethyl)-1H,3H,4H-pyrano[3,4-c]pyridin-1-one
Other name (3)：
  • ゲンチアナミン
  • Gentianamine
  • 3,4-Dihydro-4-hydroxymethyl-5-vinyl-1H-pyrano[3,4-c]pyridin-1-one
CAS registry number： 22952-54-1
KEGG COMPOUND： C09961
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