KEGG   COMPOUND: C20594Help
Entry
C20594                      Compound                               

Name
20,21-Diprenylterpendole J
Formula
C42H59NO5
Exact mass
657.4393
Mol weight
657.9216
Structure
Mol fileKCF fileDB search
Comment
hypothetical intermediate of lolitrem E synthesis (see [RN:R10369+R10367])
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Other DBs
PubChem: 254741163
KCF data Show

ATOM        48
            1   C2b C    11.4100  -14.1400
            2   C1b C    11.4100  -15.5400
            3   C2c C    10.2200  -13.4400
            4   C1a C     9.0300  -14.1400
            5   C1a C     9.8700  -12.1100
            6   C8y C    12.6700  -16.1700
            7   C8x C    12.6700  -17.5700
            8   C8x C    13.8600  -18.2700
            9   C8y C    15.0500  -17.5700
            10  C8y C    15.0500  -16.1700
            11  C8y C    13.8600  -15.4700
            12  N4x N    16.4500  -18.0600
            13  C8y C    17.2900  -16.8700
            14  C8y C    16.4500  -15.7500
            15  C1z C    18.5500  -16.4500
            16  C1y C    18.5500  -15.1200
            17  C1x C    17.2900  -14.7000
            18  C1z C    19.8100  -17.0800
            19  C1z C    21.0000  -16.4500
            20  C1x C    21.0000  -15.1200
            21  C1x C    19.8100  -14.4200
            22  C1x C    19.8100  -18.5500
            23  C1x C    21.0000  -19.2500
            24  C1y C    22.1900  -18.5500
            25  C1z C    22.1900  -17.0800
            26  O2x O    23.3100  -19.2500
            27  C1y C    24.5000  -18.5500
            28  C1y C    24.5000  -17.0800
            29  C1y C    23.3100  -16.4500
            30  C1a C    18.6200  -17.9200
            31  C1d C    25.7600  -19.2500
            32  C1a C    19.2500  -15.6100
            33  O2a O    26.9500  -18.5500
            34  C1a C    25.7600  -20.8600
            35  C1a C    26.9500  -19.9500
            36  O2x O    23.3100  -17.8500
            37  O1a O    25.6900  -16.3800
            38  O1a O    21.9800  -15.4700
            39  C1b C    26.9500  -17.1500
            40  C2b C    28.1400  -16.4500
            41  C2c C    28.1400  -15.1200
            42  C1a C    29.3300  -14.4200
            43  C1a C    26.9500  -14.3500
            44  C1b C    13.8600  -14.1400
            45  C2b C    12.6000  -13.4400
            46  C2c C    12.6000  -12.0400
            47  C1a C    13.7900  -11.3400
            48  C1a C    11.6200  -11.0600
BOND        54
            1     1   2 1
            2     1   3 2
            3     3   4 1
            4     3   5 1
            5     6   7 2
            6     7   8 1
            7     8   9 2
            8     9  10 1
            9    10  11 2
            10    6  11 1
            11    9  12 1
            12   12  13 1
            13   13  14 2
            14   10  14 1
            15   13  15 1
            16   15  16 1
            17   16  17 1
            18   14  17 1
            19   15  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   16  21 1
            24   18  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   19  25 1
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   25  29 1
            34   15  30 1 #Down
            35   27  31 1 #Up
            36   18  32 1 #Up
            37   31  33 1
            38   31  34 1
            39   31  35 1
            40   25  36 1 #Down
            41   29  36 1 #Down
            42   28  37 1 #Down
            43   19  38 1 #Down
            44   33  39 1
            45   39  40 1
            46   40  41 2
            47   41  42 1
            48   41  43 1
            49   11  44 1
            50   44  45 1
            51   45  46 2
            52   46  47 1
            53   46  48 1
            54    2   6 1

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