KEGG   COMPOUND: C12454
Entry
C12454                      Compound                               

Name
Anatalline
Formula
C15H17N3
Exact mass
239.1422
Mol weight
239.3156
Structure
Reaction
Pathway
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
Other DBs
PubChem: 582844
ChEBI: 31211
KNApSAcK: C00025768
3DMET: B05645
NIKKAJI: J92.905K
KCF data

ATOM        18
            1   C1x C    25.7855  -17.5841
            2   C1y C    25.7855  -18.9844
            3   N1x N    27.0011  -19.6846
            4   C1x C    28.2096  -18.9844
            5   C1x C    28.2096  -17.5841
            6   C1y C    27.0011  -16.8840
            7   C8y C    24.5731  -19.6852
            8   C8x C    23.3629  -18.9822
            9   C8x C    22.1505  -19.6830
            10  C8x C    22.1514  -21.0833
            11  N5x N    23.3644  -21.7828
            12  C8x C    24.5767  -21.0820
            13  C8y C    26.9877  -15.4837
            14  C8x C    28.1937  -14.7720
            15  N5x N    28.1805  -13.3717
            16  C8x C    26.9611  -12.6831
            17  C8x C    25.7551  -13.3948
            18  C8x C    25.7684  -14.7951
BOND        20
            1     4   5 1
            2     5   6 1
            3     7   8 2
            4     8   9 1
            5     9  10 2
            6    10  11 1
            7    11  12 2
            8    12   7 1
            9     6   1 1
            10    6  13 1
            11    2   7 1
            12    1   2 1
            13    2   3 1
            14    3   4 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  13 1

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