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(Q105136475)
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English
[5-Hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,5,7a-hexahydrocyclopenta[c]pyran-7-yl]methyl benzoate
group of stereoisomers with the chemical formula C₂₂H₂₈O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
452.16824709599973
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₁₀
0 references
canonical SMILES
O=C(OCC1=CC(O)C2CCOC(OC3OC(CO)C(O)C(O)C3O)C12)C=4C=CC=CC4
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Identifiers
InChI
InChI=1S/C22H28O10/c23-9-15-17(25)18(26)19(27)22(31-15)32-21-16-12(8-14(24)13(16)6-7-29-21)10-30-20(28)11-4-2-1-3-5-11/h1-5,8,13-19,21-27H,6-7,9-10H2
0 references
InChIKey
JWZUXOUZLUWWEO-UHFFFAOYSA-N
0 references
PubChem CID
85319164
1 reference
based on heuristic
inferred from InChIKey
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