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(Q105285985)
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English
[4-(1-Chloroethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
group of stereoisomers with the chemical formula C₂₁H₃₀ClNO₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
macrolides
1 reference
inferred from
macrolides
alkaloid
1 reference
inferred from
alkaloid
mass
459.1659946
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀ClNO₈
0 references
canonical SMILES
O=C(OC1(C(=O)OCC2=CCN(C)CCC(OC(=O)C(O)(CC1C)C(Cl)C)C2=O)C)C
0 references
found in taxon
Senecio pterophorus
1 reference
stated in
Diversity of pyrrolizidine alkaloids in native and invasive Senecio pterophorus (Asteraceae): implications for toxicity
Identifiers
InChI
InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3
0 references
InChIKey
VGRSISYREBBIAL-UHFFFAOYSA-N
0 references
PubChem CID
435960
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VGRSISYREBBIAL-UHFFFAOYSA-N
UniChem compound ID
51133327
1 reference
stated in
UniChem
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