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(Q105150598)
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English
(4S,6S,9S)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
group of stereoisomers with the chemical formula C₁₀H₁₅ClO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
250.06080126
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₀H₁₅ClO₅
0 references
canonical SMILES
ClC1C(O)C2CC(OC)OC3OCC1(O)C32
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isomeric SMILES
CO[C@@H]1CC2C3C(OC[C@]3(O)C(Cl)[C@H]2O)O1
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Identifiers
InChI
InChI=1S/C10H15ClO5/c1-14-5-2-4-6-9(16-5)15-3-10(6,13)8(11)7(4)12/h4-9,12-13H,2-3H2,1H3/t4?,5-,6?,7-,8?,9?,10+/m0/s1
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InChIKey
LEJFNTAYIXQPJP-QTVATMICSA-N
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PubChem CID
5318703
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
47199819
1 reference
stated in
UniChem
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