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(Q82328121)
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English
CTK1H4522
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
185.10519334
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
CHEMBL2448867
1 reference
based on heuristic
inferred from InChIKey
ecgonine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₅NO₃
0 references
canonical SMILES
CN1C2CCC1C(C(=O)O)C(O)C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1[C@H]2CC[C@@H]1[C@H]([C@@H](C2)O)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7+,8+/m0/s1
0 references
InChIKey
PHMBVCPLDPDESM-LXGUWJNJSA-N
0 references
CAS Registry Number
5878-35-3
0 references
PubChem CID
12305916
1 reference
matched by identifier from
InChIKey
InChIKey
PHMBVCPLDPDESM-LXGUWJNJSA-N
UniChem compound ID
67257022
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10486735
1 reference
matched by identifier from
InChIKey
InChIKey
PHMBVCPLDPDESM-LXGUWJNJSA-N
DSSTOX compound identifier
DTXCID10437545
0 references
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