Marvin  01150815362D          

 13 14  0  0  0  0            999 V2000
    7.2030   -4.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4967   -3.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2030   -4.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9196   -2.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329   -4.0696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7801   -4.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4967   -5.3073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329   -2.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3460   -3.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7801   -4.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3460   -2.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9196   -3.6581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9196   -4.4831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
 12  4  1  0  0  0  0
 12  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  1  0  0  0
M  END
> <ID>
CHEBI:74

> <NAME>
(S)-anabasine

> <DEFINITION>
The (S)-enantiomer of anabasine.

> <STAR>
3

> <SYNONYM>
S-(-)-Anabasine; Neonicotine; Anabasine; (-)-Anabasine

> <IUPAC_NAME>
3-[(2S)-piperidin-2-yl]pyridine

> <FORMULA>
C10H14N2

> <MASS>
162.23164

> <MONOISOTOPIC_MASS>
162.11570

> <CHARGE>
0

> <SMILES>
[H][C@]1(CCCCN1)c1cccnc1

> <INCHI>
InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1

> <INCHIKEY>
MTXSIJUGVMTTMU-JTQLQIEISA-N

> <BEILSTEIN_REGISTRY_NUMBER>
82637

> <CAS_REGISTRY_NUMBER>
494-52-0

> <REAXYS_REGISTRY_NUMBER>
82637

> <CHEMIDPLUS>
494-52-0

> <KEGG_COMPOUND_ACCESSION>
C11357

> <KNAPSACK_ACCESSION>
C00002015

> <LINCS_ACCESSION>
LSM-15372

> <NIST_CHEMISTRY_WEBBOOK>
494-52-0

> <PUBMED_CITATION>
25013964

$$$$