KEGG   COMPOUND: C20555
Entry
C20555                      Compound                               

Name
Aflatrem
Formula
C32H39NO4
Exact mass
501.2879
Mol weight
501.6564
Structure
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.5.1.-
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Indole diterpene alkaloids
    C20555  Aflatrem
Other DBs
CAS: 70553-75-2
PubChem: 172232294
ChEMBL: CHEMBL327558
KCF data

ATOM        37
            1   C8x C    18.2700   -6.1600
            2   C8x C    18.2700   -7.5600
            3   C8x C    19.3900   -8.1900
            4   C8y C    20.5800   -7.5600
            5   C8y C    20.5800   -6.1600
            6   C8y C    19.3900   -5.5300
            7   N4x N    21.9100   -7.9800
            8   C8y C    22.7500   -6.8600
            9   C8y C    21.9100   -5.7400
            10  C1z C    23.9400   -6.4400
            11  C1y C    23.9400   -5.1100
            12  C1x C    22.7500   -4.6900
            13  C1z C    25.2000   -7.0700
            14  C1z C    26.4600   -6.4400
            15  C1x C    26.4600   -5.1100
            16  C1x C    25.2000   -4.4100
            17  C1x C    25.2000   -8.4700
            18  C1x C    26.4600   -9.2400
            19  C1z C    27.5800   -8.4700
            20  C2y C    27.5800   -7.0700
            21  O2x O    28.7700   -9.2400
            22  C1y C    29.9600   -8.4700
            23  C5x C    29.9600   -7.0700
            24  C2x C    28.7700   -6.4400
            25  C1a C    24.0100   -7.8400
            26  C1a C    24.6400   -5.6700
            27  O5x O    31.1500   -6.3700
            28  O2x O    27.5800   -9.8000
            29  C1z C    29.9600   -9.8000
            30  C1a C    30.9400  -10.7800
            31  C1a C    31.2900   -9.4500
            32  O1a O    27.6500   -5.7400
            33  C1d C    19.3900   -4.1300
            34  C2b C    18.2000   -3.4300
            35  C1a C    19.3900   -2.7300
            36  C2a C    17.0100   -4.1300
            37  C1a C    20.7900   -3.7800
BOND        43
            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
            39    6  33 1
            40   33  34 1
            41   33  35 1
            42   34  36 2
            43   33  37 1

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