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(Q83018521)
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English
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrrolidine alkaloid
0 references
mass
147.089543276
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2S,3S,4S)-
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R-(2alpha,3beta,4beta))-
1 reference
based on heuristic
inferred from InChI
chemical formula
C₆H₁₃NO₃
0 references
canonical SMILES
OCC1N(C)CC(O)C1O
0 references
isomeric SMILES
CN1C[C@H]([C@@H]([C@H]1CO)O)O
0 references
found in taxon
Angylocalyx pynaertii
1 reference
stated in
New sugar-mimic alkaloids from the pods of Angylocalyx pynaertii
Identifiers
InChI
InChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3/t4-,5-,6-/m1/s1
0 references
InChIKey
UBVOJPDDTVFNFJ-HSUXUTPPSA-N
0 references
CAS Registry Number
117956-55-5
0 references
PubChem CID
451992
1 reference
matched by identifier from
InChIKey
InChIKey
UBVOJPDDTVFNFJ-HSUXUTPPSA-N
UniChem compound ID
138172
1 reference
stated in
UniChem
NMRShiftDB structure ID
20221718
1 reference
matched by identifier from
InChIKey
InChIKey
UBVOJPDDTVFNFJ-HSUXUTPPSA-N
DSSTox substance ID
DTXSID70151972
1 reference
matched by identifier from
InChIKey
InChIKey
UBVOJPDDTVFNFJ-HSUXUTPPSA-N
DSSTOX compound identifier
DTXCID6074463
0 references
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