KEGG   COMPOUND: C20553
Entry
C20553                      Compound                               

Name
Paspalicine
Formula
C27H31NO3
Exact mass
417.2304
Mol weight
417.5399
Structure
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Indole diterpene alkaloids
    C20553  Paspalicine
Other DBs
CAS: 11024-55-8
PubChem: 172232292
KCF data

ATOM        31
            1   C8x C    12.0888  -15.1451
            2   C8x C    12.0888  -16.5201
            3   C8x C    13.2576  -17.1389
            4   C8y C    14.4264  -16.5201
            5   C8y C    14.4264  -15.1451
            6   C8x C    13.2576  -14.4576
            7   N4x N    15.7327  -16.9326
            8   C8y C    16.5577  -15.8326
            9   C8y C    15.7327  -14.7326
            10  C1z C    17.7952  -15.4201
            11  C1y C    17.7952  -14.0451
            12  C1x C    16.5577  -13.6326
            13  C1z C    19.0327  -16.0389
            14  C1y C    20.2702  -15.4201
            15  C1x C    20.2702  -14.0451
            16  C1x C    19.0327  -13.3576
            17  C1x C    19.0327  -17.4139
            18  C1x C    20.2702  -18.1702
            19  C1z C    21.4390  -17.4139
            20  C2y C    21.4390  -16.0389
            21  O2x O    22.6078  -18.1702
            22  C1y C    23.7765  -17.4139
            23  C5x C    23.7765  -16.0389
            24  C2x C    22.6078  -15.4201
            25  C1a C    17.8639  -16.7951
            26  C1a C    18.4827  -14.5951
            27  O5x O    25.0141  -15.3514
            28  O2x O    21.4390  -18.7889
            29  C1z C    23.7765  -18.7889
            30  C1a C    24.7488  -19.7612
            31  C1a C    25.1047  -18.4331
BOND        37
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14    9  12 1
            15   10  13 1
            16   13  14 1
            17   14  15 1
            18   15  16 1
            19   11  16 1
            20   13  17 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   14  20 1
            25   19  21 1
            26   21  22 1
            27   22  23 1
            28   23  24 1
            29   20  24 2
            30   10  25 1 #Down
            31   13  26 1 #Up
            32   23  27 2
            33   19  28 1 #Up
            34   22  29 1 #Up
            35   28  29 1
            36   29  30 1
            37   29  31 1

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