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(Q82579092)
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English
3-Deoxy-D-erythro-non-2-ulopyranosonic acid
chemical compound
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No label defined
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
268.079432092
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₆O₉
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)C1(O)CC(O)C(O)C(C(O)C(O)CO)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C(O)C1(O)CC(O)C(O)C([C@H](O)[C@H](O)CO)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3?,4-,5?,6-,7?,9?/m1/s1
0 references
InChIKey
CLRLHXKNIYJWAW-RKMYCMEXSA-N
0 references
CAS Registry Number
153666-19-4
0 references
PubChem CID
45038827
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CLRLHXKNIYJWAW-RKMYCMEXSA-N
UniChem compound ID
24215613
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50661882
0 references
DSSTOX compound identifier
DTXCID90612631
0 references
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