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(Q82997520)
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English
5-(Furan-3-yl)-5-oxopentan-2-yl hexopyranosiduronic acid
group of stereoisomers with the chemical formula C₁₅H₂₀O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
344.11073221999993
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₉
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(CCC(=O)c1ccoc1)OC1OC(C(=O)O)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(CCC(=O)c1ccoc1)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H20O9/c1-7(2-3-9(16)8-4-5-22-6-8)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h4-7,10-13,15,17-19H,2-3H2,1H3,(H,20,21)/t7?,10-,11-,12+,13-,15+/m0/s1
0 references
InChIKey
PRIASYUIKDWKKL-UICVJNQZSA-N
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CAS Registry Number
83061-21-6
0 references
PubChem CID
134151
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
53303563
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601003104
0 references
DSSTOX compound identifier
DTXCID601430028
0 references
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