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(Q104912887)
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English
1-[(1R,3S,4aR,8aS)-3-hydroxy-1,2,3,4,4a,8a-hexahydroisoquinolin-1-yl]propan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-(3-Hydroxy-1,2,3,4,4a,8a-hexahydroisoquinolin-1-yl)propan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
207.125928784
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₇NO₂
0 references
canonical SMILES
O=C(C)CC1NC(O)CC2C=CC=CC21
0 references
isomeric SMILES
CC(=O)C[C@H]1N[C@@H](O)C[C@@H]2C=CC=C[C@@H]21
0 references
found in taxon
Peganum harmala
1 reference
stated in
New alkaloids from Peganum harmala
Identifiers
InChI
InChI=1S/C12H17NO2/c1-8(14)6-11-10-5-3-2-4-9(10)7-12(15)13-11/h2-5,9-13,15H,6-7H2,1H3/t9-,10-,11+,12-/m0/s1
0 references
InChIKey
AIOZJVUSISKTAI-YFKTTZPYSA-N
0 references
PubChem CID
163035233
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AIOZJVUSISKTAI-YFKTTZPYSA-N
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