KEGG   COMPOUND: C20601
Entry
C20601                      Compound                               
Name
Janthitrem C
Formula
C37H47NO4
Exact mass
569.3505
Mol weight
569.77
Structure
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Indole diterpene alkaloids
    C20601  Janthitrem C
Other DBs
CAS: 73561-91-8
PubChem: 254741170
ChEBI: 169891
LinkDB
KCF data

ATOM        42
            1   C8y C    13.8915  -15.0804
            2   C8y C    13.8915  -16.4831
            3   C8x C    15.0839  -17.1144
            4   C8y C    16.2762  -16.4831
            5   C8y C    16.2762  -15.0804
            6   C8x C    15.0839  -14.3790
            7   N4x N    17.6088  -16.9039
            8   C8y C    18.4504  -15.7818
            9   C8y C    17.6088  -14.6596
            10  C1z C    19.7129  -15.3610
            11  C1y C    19.7129  -13.9582
            12  C1x C    18.4504  -13.5374
            13  C1z C    20.9753  -15.9922
            14  C1z C    22.2377  -15.3610
            15  C1x C    22.2377  -13.9582
            16  C1x C    20.9753  -13.2569
            17  C1x C    20.9753  -17.3949
            18  C1x C    22.2377  -18.0963
            19  C1y C    23.4300  -17.3949
            20  C2y C    23.4300  -15.9922
            21  O2x O    24.6223  -18.0963
            22  C1y C    25.8147  -17.3949
            23  C1y C    25.8147  -15.9922
            24  C2x C    24.6223  -15.3610
            25  C1a C    19.7130  -16.7636
            26  O1a O    23.4300  -14.6596
            27  C2c C    27.0771  -18.0963
            28  C1a C    20.4142  -14.5194
            29  C1x C    12.5590  -14.6596
            30  C1y C    11.7173  -15.7818
            31  C2y C    12.5590  -16.9039
            32  C1z C    10.3146  -15.9220
            33  O2x O     9.7536  -17.2547
            34  C1z C    10.5952  -18.3768
            35  C2x C    11.9979  -18.2365
            36  C1a C     8.9820  -15.5714
            37  C1a C     9.9640  -14.5895
            38  C1a C    10.5952  -19.7795
            39  C1a C     9.5432  -19.3587
            40  O1a O    27.0069  -15.2908
            41  C2a C    27.0771  -19.4989
            42  C1a C    28.2694  -17.3949
BOND        49
            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   14  26 1 #Down
            32   22  27 1 #Up
            33   13  28 1 #Up
            34    1  29 1
            35   29  30 1
            36   30  31 1
            37    2  31 1
            38   30  32 1
            39   32  33 1
            40   33  34 1
            41   34  35 1
            42   31  35 2
            43   32  36 1
            44   32  37 1
            45   34  38 1
            46   34  39 1
            47   23  40 1 #Up
            48   27  41 2
            49   27  42 1

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