Marvin  01150815322D          

 12 13  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
    7.9196   -3.6581    0.0000 C   0  0  3  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
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <ID>
CHEBI:28986

> <NAME>
anabasine

> <DEFINITION>
A pyridine alkaloid that is pyridine substituted by a piperidin-2-yl group at position 3.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:2695; CHEBI:22540

> <SYNONYM>
Anabasine; (+-)-anabasine

> <IUPAC_NAME>
3-(piperidin-2-yl)pyridine

> <FORMULA>
C10H14N2

> <MASS>
162.23164

> <MONOISOTOPIC_MASS>
162.11570

> <CHARGE>
0

> <SMILES>
C1CCC(NC1)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

> <INCHIKEY>
MTXSIJUGVMTTMU-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
82639

> <CAS_REGISTRY_NUMBER>
13078-04-1

> <REAXYS_REGISTRY_NUMBER>
82639

> <CHEMIDPLUS>
13078-04-1

> <KEGG_COMPOUND_ACCESSION>
C06180

> <LINCS_ACCESSION>
LSM-4371

> <WIKIPEDIA_ACCESSION>
Anabasine

> <PUBMED_CITATION>
25122040; 7226846

$$$$