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(Q104996198)
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English
[(2S)-2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
354.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂O₅
0 references
canonical SMILES
O=C(OCC1(OC1)C2=CC=C(C=C2OC(=O)C(C)C)C)C=3C=CC=CC3
0 references
isomeric SMILES
Cc1ccc([C@@]2(COC(=O)c3ccccc3)CO2)c(OC(=O)C(C)C)c1
0 references
found in taxon
Ageratina anisochroma
1 reference
stated in
Germacranolides and other constituents from Ageratina species
Identifiers
InChI
InChI=1S/C21H22O5/c1-14(2)19(22)26-18-11-15(3)9-10-17(18)21(13-25-21)12-24-20(23)16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3/t21-/m1/s1
0 references
InChIKey
FJLQUQYSVZGXDR-OAQYLSRUSA-N
0 references
PubChem CID
162868366
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FJLQUQYSVZGXDR-OAQYLSRUSA-N
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