KEGG   COMPOUND: C20550Help
Entry
C20550                      Compound                               

Name
Lolitrem E
Formula
C42H57NO7
Exact mass
687.4135
Mol weight
687.9045
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-       1.14.21.-       2.5.1.-
Other DBs
PubChem: 172232289
KCF data Show

ATOM        50
            1   C8y C    12.0472  -16.6117
            2   C8x C    12.0472  -18.0128
            3   C8x C    13.2381  -18.7133
            4   C8y C    14.4291  -18.0128
            5   C8y C    14.4291  -16.6117
            6   C8y C    13.2381  -15.9111
            7   N4x N    15.8302  -18.5032
            8   C8y C    16.6008  -17.3122
            9   C8y C    15.8302  -16.1914
            10  C1z C    17.8618  -16.8919
            11  C1y C    17.8618  -15.4908
            12  C1x C    16.6008  -15.0705
            13  C1z C    19.1227  -17.5224
            14  C1z C    20.3137  -16.8919
            15  C1x C    20.3137  -15.4908
            16  C1x C    19.1227  -14.8603
            17  C1x C    19.1227  -18.9936
            18  C1x C    20.3137  -19.6941
            19  C1y C    21.5046  -18.9936
            20  C1z C    21.5046  -17.5224
            21  O2x O    22.6955  -19.6941
            22  C1y C    23.8865  -18.9936
            23  C1y C    23.8865  -17.5224
            24  C1y C    22.6955  -16.8919
            25  C1a C    17.9318  -18.3631
            26  C1d C    25.1475  -19.6941
            27  C1a C    18.5623  -16.0513
            28  O2a O    26.3384  -18.9936
            29  C1a C    25.1475  -21.3054
            30  C1a C    26.3384  -20.3947
            31  O2x O    22.6955  -18.2930
            32  O1a O    25.0774  -16.8219
            33  O1a O    21.2944  -15.9111
            34  C1x C    13.2381  -14.5801
            35  C1y C    11.9771  -13.8795
            36  C1y C    10.7862  -14.5801
            37  C5x C    10.7862  -15.9812
            38  O5x O     9.5953  -16.7518
            39  C1z C    11.6969  -12.5485
            40  O2x O    10.2958  -12.4084
            41  C1z C     9.7354  -13.6694
            42  C1a C    13.0280  -12.1982
            43  C1a C    11.5568  -11.1474
            44  C1a C     8.5444  -12.9688
            45  C1a C     8.5444  -14.3699
            46  C1b C    26.3384  -17.5925
            47  C2b C    27.5517  -16.8919
            48  C2c C    27.5517  -15.4908
            49  C1a C    28.7482  -14.7999
            50  C1a C    26.3216  -14.7806
BOND        58
            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 1
            30   10  25 1 #Down
            31   22  26 1 #Up
            32   13  27 1 #Up
            33   26  28 1
            34   26  29 1
            35   26  30 1
            36   20  31 1 #Down
            37   24  31 1 #Down
            38   23  32 1 #Down
            39   14  33 1 #Down
            40    6  34 1
            41   34  35 1
            42   36  37 1
            43    1  37 1
            44   36  35 1
            45   37  38 2
            46   35  39 1
            47   39  40 1
            48   40  41 1
            49   36  41 1
            50   39  42 1
            51   39  43 1
            52   41  44 1
            53   41  45 1
            54   28  46 1
            55   46  47 1
            56   47  48 2
            57   48  49 1
            58   48  50 1

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