KEGG   COMPOUND: C10161
Entry
C10161                      Compound                               
Name
Nicotyrine;
beta-Nicotyrine
Formula
C10H10N2
Exact mass
158.0844
Mol weight
158.1998
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from nicotinic acid
   Pyridine alkaloids
    C10161  Nicotyrine
Other DBs
CAS: 487-19-4
PubChem: 12347
ChEBI: 183813 7564
KNApSAcK: C00002058
3DMET: B03595
NIKKAJI: J6.018F
KCF data

ATOM        12
            1   C8y C    27.4207  -17.1632
            2   C8y C    26.2047  -17.8672
            3   N4y N    28.6894  -17.7334
            4   C8x C    27.5664  -15.7667
            5   C8x C    24.9943  -17.1632
            6   C8x C    26.2047  -19.2638
            7   C8x C    29.6320  -16.6919
            8   C1a C    28.6835  -19.1300
            9   C8x C    28.9337  -15.4815
            10  C8x C    23.7781  -17.8672
            11  N5x N    24.9943  -19.9680
            12  C8x C    23.7781  -19.2638
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11   10  12 1
            12    7   9 2
            13   11  12 2

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