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(Q105000864)
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English
3-Hydroxy-6-tigloyloxytropane
group of stereoisomers with the chemical formula C₁₃H₂₁NO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
tropane alkaloids
1 reference
inferred from
tropane alkaloids
mass
239.152143532
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₂₁NO₃
0 references
canonical SMILES
O=C(OC1CC2N(C)C1CC(O)C2)C(=CC)C
0 references
isomeric SMILES
C/C=C(\C)C(=O)OC1C[C@@H]2CC(O)C[C@H]1N2C
0 references
found in taxon
Datura inoxia
1 reference
stated in
Investigation of the Alkaloid Pattern of Datura innoxia Plants by Capillary Gas-Liquid-Chromatography-Mass Spectrometry
Datura stramonium
2 references
stated in
Alkaloid spectrum in diploid and tetraploid hairy root cultures of Datura stramonium.
stated in
GC-MS investigation of tropane alkaloids in Datura stramonium.
Identifiers
InChI
InChI=1S/C13H21NO3/c1-4-8(2)13(16)17-12-6-9-5-10(15)7-11(12)14(9)3/h4,9-12,15H,5-7H2,1-3H3/b8-4+/t9-,10?,11+,12?/m0/s1
0 references
InChIKey
FSTVJNLNEVDORU-IWMMXTRQSA-N
0 references
PubChem CID
129662863
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FSTVJNLNEVDORU-IWMMXTRQSA-N
UniChem compound ID
161689207
1 reference
stated in
UniChem
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