COMPOUND: C20554


Entry
C20554                      Compound                               
Name
Paspalinine
Formula
C27H31NO4
Exact mass
433.2253
Mol weight
433.5393
Structure
Reaction
R10362 R10365
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-       2.5.1.-
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Indole diterpene alkaloids
    C20554  Paspalinine
Other DBs
CAS: 63722-91-8
PubChem: 172232293
KCF data

ATOM        32
            1   C8x C     5.3200  -23.1700
            2   C8x C     5.3200  -24.5700
            3   C8x C     6.4400  -25.2000
            4   C8y C     7.6300  -24.5700
            5   C8y C     7.6300  -23.1700
            6   C8x C     6.4400  -22.5400
            7   N4x N     8.9600  -24.9900
            8   C8y C     9.8000  -23.8700
            9   C8y C     8.9600  -22.7500
            10  C1z C    10.9900  -23.4500
            11  C1y C    10.9900  -22.1200
            12  C1x C     9.8000  -21.7000
            13  C1z C    12.2500  -24.0800
            14  C1z C    13.5100  -23.4500
            15  C1x C    13.5100  -22.1200
            16  C1x C    12.2500  -21.4200
            17  C1x C    12.2500  -25.4800
            18  C1x C    13.5100  -26.2500
            19  C1z C    14.6300  -25.4800
            20  C2y C    14.6300  -24.0800
            21  O2x O    15.8200  -26.2500
            22  C1y C    17.0100  -25.4800
            23  C5x C    17.0100  -24.0800
            24  C2x C    15.8200  -23.4500
            25  C1a C    11.0600  -24.8500
            26  C1a C    11.6900  -22.6800
            27  O5x O    18.2000  -23.3800
            28  O2x O    14.6300  -26.8100
            29  C1z C    17.0100  -26.8100
            30  C1a C    17.9900  -27.7900
            31  C1a C    18.3400  -26.4600
            32  O1a O    14.7224  -22.7500
BOND        38
            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
            38   14  32 1 #Down

» Japanese version

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Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (1)   
   PubChem (1)   
Chemical reaction (2)   
   KEGG REACTION (2)   
Gene (6)   
   KEGG GENES (6)   
All databases (11)   

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