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(Q105159616)
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English
Methyl 5-hydroxy-5-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-10-carboxylate
group of stereoisomers with the chemical formula C₁₇H₂₄O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
404.1318615879998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₄O₁₁
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C4OC4C3(O)C
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Identifiers
InChI
InChI=1S/C17H24O11/c1-17(23)8-7(12-13(17)27-12)5(14(22)24-2)4-25-15(8)28-16-11(21)10(20)9(19)6(3-18)26-16/h4,6-13,15-16,18-21,23H,3H2,1-2H3
0 references
InChIKey
LYVNAJAQRIGDTO-UHFFFAOYSA-N
0 references
PubChem CID
162872552
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LYVNAJAQRIGDTO-UHFFFAOYSA-N
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