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(Q83119139)
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Glucitolvaline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
281.14745207600004
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₂₃NO₇
0 references
canonical SMILES
CC(C)C(NCC(O)C(O)C(O)C(O)CO)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)[C@@H](C(=O)O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
0 references
Identifiers
InChI
InChI=1S/C11H23NO7/c1-5(2)8(11(18)19)12-3-6(14)9(16)10(17)7(15)4-13/h5-10,12-17H,3-4H2,1-2H3,(H,18,19)/t6-,7+,8-,9+,10+/m0/s1
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InChIKey
YCFRSHNMJZSIOI-SQXHDICFSA-N
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CAS Registry Number
88455-08-7
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PubChem CID
145887
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UniChem compound ID
59440985
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40237055
1 reference
matched by identifier from
InChIKey
InChIKey
YCFRSHNMJZSIOI-SQXHDICFSA-N
DSSTOX compound identifier
DTXCID40159546
0 references
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