KEGG   COMPOUND: C22432
Entry
C22432                      Compound                               
Name
Paspalic acid
Formula
C16H16N2O2
Exact mass
268.1212
Mol weight
268.3104
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Other DBs
CAS: 5516-88-1
KCF data

ATOM        20
            1   C8y C    17.4744  -18.2557
            2   C8y C    17.4809  -16.8893
            3   C8y C    18.6540  -18.9455
            4   C8y C    16.2948  -18.9389
            5   C1y C    18.6669  -16.2188
            6   C8x C    16.3013  -16.2125
            7   C1x C    19.8400  -18.2687
            8   C8x C    18.6540  -20.2483
            9   N4x N    16.2885  -20.2990
            10  C8x C    15.1282  -18.2557
            11  C1y C    19.8400  -16.9086
            12  C2x C    18.6797  -14.8653
            13  C8x C    15.1282  -16.8893
            14  N1y N    21.0260  -16.2446
            15  C2y C    19.8658  -14.1885
            16  C1x C    21.0389  -14.8846
            17  C1a C    22.1861  -16.9152
            18  C6a C    19.8593  -12.8221
            19  O6a O    21.0324  -12.1324
            20  O6a O    18.6531  -12.1357
BOND        23
            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 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   12  15 2
            15   14  16 1
            16   14  17 1
            17   15  18 1
            18   18  19 1
            19    7  11 1
            20    8   9 1
            21   10  13 2
            22   15  16 1
            23   18  20 2

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