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(Q105191890)
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English
methyl 6-[3-formyl-4-(2-methoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-pyran-5-carbonyl]oxy-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
group of stereoisomers with the chemical formula C₂₂H₂₈O₁₀
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Statements
instance of
group of stereoisomers
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subclass of
iridoid
1 reference
inferred from
iridoid
mass
452.16824709599973
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₁₀
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canonical SMILES
O=CC1C(OC=C(C(=O)OC2CC3C(=COC(O)C3C2C)C(=O)OC)C1CC(=O)OC)C
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Identifiers
InChI
InChI=1S/C22H28O10/c1-10-17(5-13-16(20(25)29-4)9-31-22(27)19(10)13)32-21(26)15-8-30-11(2)14(7-23)12(15)6-18(24)28-3/h7-14,17,19,22,27H,5-6H2,1-4H3
0 references
InChIKey
OGVKQJQFXCWBTO-UHFFFAOYSA-N
0 references
PubChem CID
85191263
1 reference
based on heuristic
inferred from InChIKey
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