KEGG   COMPOUND: C20553Help
Entry
C20553                      Compound                               

Name
Paspalicine
Formula
C27H31NO3
Exact mass
417.2304
Mol weight
417.5399
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
CAS: 11024-55-8
PubChem: 172232292
KCF data Show

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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