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(Q104253304)
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English
[7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(1-acetyloxyethyl)-2,3-dihydroxy-3-methylbutanoate
group of stereoisomers with the chemical formula C₂₂H₃₃NO₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
pyrrolizidine alkaloid
1 reference
inferred from
pyrrolizidine alkaloid
mass
439.220617016
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₃NO₈
0 references
canonical SMILES
O=C(OC1CCN2CC=C(COC(=O)C(O)(C(OC(=O)C)C)C(O)(C)C)C21)C(=CC)C
0 references
found in taxon
Cynoglossum officinale
2 references
stated in
Pyrrolizidine alkaloids of Cynoglossum officinale and Cynoglossum amabile (family boraginaceae)
stated in
Mystery root ingestion
Identifiers
InChI
InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3
0 references
InChIKey
LHYJPODIMQKZHJ-UHFFFAOYSA-N
0 references
PubChem CID
78409650
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
83565205
1 reference
stated in
UniChem
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