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(Q105343890)
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English
(1S,4S,8S)-3,8-dimethyl-2-azabicyclo[2.2.2]oct-2-en-5-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
151.099714036
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3,8-Dimethyl-2-azabicyclo[2.2.2]oct-2-en-5-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₃NO
0 references
canonical SMILES
O=C1CC2N=C(C)C1C(C)C2
0 references
isomeric SMILES
CC1=N[C@@H]2CC(=O)[C@H]1[C@@H](C)C2
0 references
found in taxon
Peripentadenia mearsii
1 reference
stated in
Alkaloids of peripentadenia mearsii. II
Identifiers
InChI
InChI=1S/C9H13NO/c1-5-3-7-4-8(11)9(5)6(2)10-7/h5,7,9H,3-4H2,1-2H3/t5-,7-,9-/m0/s1
0 references
InChIKey
XWZBTIGBVQYTRB-GCHGDONOSA-N
0 references
CAS Registry Number
92446-42-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
53253907
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XWZBTIGBVQYTRB-GCHGDONOSA-N
UniChem compound ID
32330552
1 reference
stated in
UniChem
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