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(Q105326151)
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English
(7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-3-methyl-2-[1-(2-methylbut-2-enoyloxy)ethyl]butanoate
group of stereoisomers with the chemical formula C₂₀H₃₁NO₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
pyrrolizidine alkaloid
1 reference
inferred from
pyrrolizidine alkaloid
mass
381.2151377119999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₁NO₆
0 references
canonical SMILES
O=C(OC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)C)C(=CC)C
0 references
Identifiers
InChI
InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-14(5)20(25,12(2)3)19(24)26-11-15-7-9-21-10-8-16(22)17(15)21/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3
0 references
InChIKey
XDYWDZKXDBKDDT-UHFFFAOYSA-N
0 references
PubChem CID
78410077
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XDYWDZKXDBKDDT-UHFFFAOYSA-N
UniChem compound ID
83565618
1 reference
stated in
UniChem
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