Chem
J-GLOBAL ID：200907034594949007   Nikkaji number：J82.222A

Gentianaine

ゲンチアナイン
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： C6H7NO3
Molecular formula furigana： C6-H7-N-O3
Molecular weight： 141.126
InChI： InChI=1S/C6H7NO3/c7-3-4-5(8)1-2-10-6(4)9/h3H,1-2,7H2
InChI key： JCVFDMOXFXJTSJ-UHFFFAOYSA-N
SMILES： NC=C1C(=O)CCOC1=O
Systematic name  (3)：
  • 3-(アミノメチレン)-5,6-ジヒドロ-2H-ピラン-2,4(3H)-ジオン
  • 3-(アミノメチリデン)オキサン-2,4-ジオン
  • 3-(aminomethylidene)oxane-2,4-dione
Other name (5)：
  • ゲンチアナイン
  • ゲンチオクルシン
  • Gentiocrucine
  • Gentianaine
  • 3-(Aminomethylene)-5,6-dihydro-2H-pyran-2,4(3H)-dione
CAS registry number： 22108-77-6
KEGG COMPOUND： C09960
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