KEGG   COMPOUND: C20595Help
Entry
C20595                      Compound                               

Name
20,21-Diprenylterpendole C
Formula
C42H57NO5
Exact mass
655.4237
Mol weight
655.9057
Structure
Mol fileKCF fileDB search
Comment
hypothetical intermediate of lolitrem B synthesis (see [RN:R10369+R10367])
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Other DBs
PubChem: 254741164
LinkDB All DBs
KCF data Show

ATOM        48
            1   C2b C    13.2300  -14.9800
            2   C1b C    13.2300  -16.3800
            3   C2c C    12.0400  -14.2800
            4   C1a C    10.8500  -14.9800
            5   C1a C    11.6900  -12.8800
            6   C8y C    14.4900  -17.0100
            7   C8x C    14.4900  -18.4100
            8   C8x C    15.7500  -19.1100
            9   C8y C    16.9400  -18.4100
            10  C8y C    16.9400  -17.0100
            11  C8y C    15.7500  -16.3100
            12  N4x N    18.3400  -18.9000
            13  C8y C    19.1800  -17.7100
            14  C8y C    18.3400  -16.5900
            15  C1z C    20.4400  -17.2900
            16  C1y C    20.4400  -15.9600
            17  C1x C    19.1800  -15.5400
            18  C1z C    21.7000  -17.9200
            19  C1z C    22.8900  -17.2900
            20  C1x C    22.8900  -15.9600
            21  C1x C    21.7000  -15.2600
            22  C1x C    21.7000  -19.3900
            23  C1x C    22.8900  -20.0900
            24  C1y C    24.0800  -19.3900
            25  C1z C    24.0800  -17.9200
            26  O2x O    25.2000  -20.0900
            27  C1y C    26.3900  -19.3900
            28  C1y C    26.3900  -17.9200
            29  C1y C    25.2000  -17.2900
            30  C1a C    20.5100  -18.7600
            31  C1z C    27.6500  -20.0900
            32  C1a C    21.1400  -16.4500
            33  O2x O    28.8400  -19.3900
            34  C1a C    27.6500  -21.7000
            35  C1a C    28.8400  -20.7900
            36  O2x O    25.2000  -18.6900
            37  O2x O    27.5800  -17.2200
            38  O1a O    23.8700  -16.3100
            39  C1y C    28.8400  -17.9900
            40  C2b C    30.0300  -17.2900
            41  C2c C    30.0300  -15.9600
            42  C1a C    31.2200  -15.2600
            43  C1a C    28.8400  -15.1900
            44  C1b C    15.7500  -14.9800
            45  C2b C    14.4200  -14.2800
            46  C2c C    14.4200  -12.8100
            47  C1a C    15.6800  -12.1100
            48  C1a C    13.4400  -11.8300
BOND        55
            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 #Down
            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
            55   37  39 1

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