KEGG   COMPOUND: C20555Help
Entry
C20555                      Compound                               

Name
Aflatrem
Formula
C32H39NO4
Exact mass
501.2879
Mol weight
501.6564
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
CAS: 70553-75-2
PubChem: 172232294
ChEMBL: CHEMBL327558
KCF data Show

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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