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D,L-Anatabine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
anabasine-like alkaloid
0 references
mass
160.100048384
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₂N₂
0 references
canonical SMILES
N=1C=CC=C(C1)C2NCC=CC2
0 references
found in taxon
Nicotiana
1 reference
stated in
The alkaloid contents of sixty Nicotiana species
Nicotiana tabacum
1 reference
stated in
Enantiomeric analysis of anatabine, nornicotine and anabasine in commercial tobacco by multi-dimensional gas chromatography and mass spectrometry
Identifiers
InChI
InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2
0 references
InChIKey
SOPPBXUYQGUQHE-UHFFFAOYSA-N
0 references
CAS Registry Number
2743-90-0
0 references
PubChem CID
261474
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
SOPPBXUYQGUQHE-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL229516
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SOPPBXUYQGUQHE-UHFFFAOYSA-N
SCHEMBL26383447
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SOPPBXUYQGUQHE-UHFFFAOYSA-N
UniChem compound ID
24063427
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30294036
1 reference
matched by identifier from
InChIKey
InChIKey
SOPPBXUYQGUQHE-UHFFFAOYSA-N
DTXSID90862230
1 reference
matched by identifier from
InChIKey
InChIKey
SOPPBXUYQGUQHE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40245175
0 references
Human Metabolome Database ID
HMDB0245726
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SOPPBXUYQGUQHE-UHFFFAOYSA-N
Probes And Drugs ID
PD019788
0 references
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