KEGG   COMPOUND: C20596
Entry
C20596                      Compound                               
Name
Penitrem D
Formula
C37H45NO4
Exact mass
567.3349
Mol weight
567.76
Structure
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Indole diterpene alkaloids
    C20596  Penitrem D
Other DBs
CAS: 78213-64-6
PubChem: 254741165
LinkDB
KCF data

ATOM        42
            1   C8y C    12.6711  -16.2439
            2   C8x C    12.6711  -17.6442
            3   C8x C    13.8615  -18.2744
            4   C8y C    15.0518  -17.6442
            5   C8y C    15.0518  -16.2439
            6   C8y C    13.8615  -15.5437
            7   N4x N    16.3821  -18.0643
            8   C8y C    17.2224  -16.9440
            9   C8y C    16.3821  -15.8238
            10  C1z C    18.4828  -16.5239
            11  C1y C    18.4828  -15.1236
            12  C1y C    17.2224  -14.7035
            13  C1z C    19.7430  -17.1541
            14  C1z C    20.9334  -16.5239
            15  C1x C    20.9334  -15.1236
            16  C1x C    19.7430  -14.4234
            17  C1x C    19.7430  -18.5546
            18  C1x C    20.9334  -19.2547
            19  C1y C    22.1237  -18.5546
            20  C2y C    22.1237  -17.1541
            21  O2x O    23.3140  -19.2547
            22  C1y C    24.5044  -18.5546
            23  C1y C    24.5044  -17.1541
            24  C2x C    23.3140  -16.5239
            25  C1a C    18.4827  -17.9244
            26  O1a O    22.1237  -15.8238
            27  C2c C    25.7647  -19.2547
            28  C1a C    19.1829  -15.6838
            29  O1a O    25.7647  -16.4539
            30  C2a C    25.7647  -20.8651
            31  C1a C    27.0250  -18.5546
            32  C1y C    13.8615  -14.1434
            33  C1y C    12.6711  -13.4431
            34  C2y C    11.4808  -14.1434
            35  C1x C    11.4808  -15.5437
            36  C1y C    14.5617  -12.9530
            37  C1x C    13.3013  -12.2528
            38  C2a C    10.2205  -13.4431
            39  O2x O    17.2224  -13.3031
            40  C1z C    15.8920  -12.6029
            41  C1a C    16.8723  -11.5526
            42  C1a C    14.9117  -11.5526
BOND        50
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            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   14  26 1 #Down
            32   22  27 1 #Up
            33   13  28 1 #Up
            34   23  29 1 #Up
            35   27  30 2
            36   27  31 1
            37    6  32 1
            38   32  33 1
            39   33  34 1
            40   34  35 1
            41    1  35 1
            42   32  36 1
            43   36  37 1
            44   33  37 1
            45   34  38 2
            46   12  39 1
            47   36  40 1
            48   39  40 1
            49   40  41 1
            50   40  42 1

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