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CHEBI:40772 - ALLOSAMIZOLINE

Default Structure
ChEBI IDCHEBI:40772
ChEBI NameALLOSAMIZOLINE
Stars
DownloadsMolfile
FormulaC9H16N2O4
Net Charge0
Average Mass216.237
Monoisotopic Mass216.11101
SMILES[H]OC([H])([H])[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N=C(N(C([H])([H])[H])C([H])([H])[H])O[C@]21[H]
InChIInChI=1S/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4-,5-,6-,7-,8+/m1/s1
InChIKeyMKJAYSJDHSEFRI-PVFLNQBWSA-N
ChEBI Ontology
Outgoing Relation(s)
ALLOSAMIZOLINE (CHEBI:40772) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3aR,4R,5R,6R,6aS)-2-(dimethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diolPDBeChem
ALLOSAMIZOLINEPDBeChem
Manual XrefsDatabases
AMIPDBeChem