Chem
J-GLOBAL ID：200907012683096383   Nikkaji number：J14.046E

Otonecine

オトネシン
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： C9H16[N+]O3
Molecular formula furigana： C9-H16-N-O3
Molecular weight： 186.230
InChI： InChI=1S/C9H16NO3/c1-10-4-2-7(6-11)9(10,13)8(12)3-5-10/h2,8,11-13H,3-6H2,1H3/q+1/t8-,9+,10+/m1/s1
InChI key： MHCDHCVYFDHGEB-UTLUCORTSA-N
SMILES： C[N@+]12CC[C@@H](O)[C@@]1(O)C(=CC2)CO
Systematic name  (3)：
  • (1R,4β,7aβ)-2,3,5,7a-テトラヒドロ-1,7a-ジヒドロキシ-7-(ヒドロキシメチル)-4-メチル-1H-ピロリザイン-4-イウム
  • (1R,4R,7aS)-1,7a-ジヒドロキシ-7-(ヒドロキシメチル)-4-メチル-1,2,3,4,5,7a-ヘキサヒドロピロリジン-4-イウム
  • (1R,4R,7aS)-1,7a-dihydroxy-7-(hydroxymethyl)-4-methyl-1,2,3,4,5,7a-hexahydropyrrolizin-4-ium
Other name (3)：
  • オトネシン
  • Otonecine
  • (1R,4β,7aβ)-2,3,5,7a-Tetrahydro-1,7a-dihydroxy-7-(hydroxymethyl)-4-methyl-1H-pyrrolizin-4-ium
CAS registry number： 6887-34-9
KEGG COMPOUND： C10356
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