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(Q115948240)
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English
methyl 4-(1,3-dioxolan-2-ylmethyl)-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
group of stereoisomers with the chemical formula C₁₉H₂₈O₁₁
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
432.163161716
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₈O₁₁
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3OCCO3
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found in taxon
Gentiana verna
1 reference
stated in
Secologanin and Derivatives from Gentiana verna
Identifiers
InChI
InChI=1S/C19H28O11/c1-3-9-10(6-13-26-4-5-27-13)11(17(24)25-2)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h3,8-10,12-16,18-23H,1,4-7H2,2H3
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InChIKey
HMNLQJQSKCTTFC-UHFFFAOYSA-N
0 references
PubChem CID
73085128
1 reference
stated in
PubChem
retrieved
4 January 2023
based on heuristic
inferred from InChIKey
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