KEGG   COMPOUND: C20548
Entry
C20548                      Compound                               

Name
Lolitriol
Formula
C37H49NO7
Exact mass
619.3509
Mol weight
619.7875
Structure
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-       2.5.1.-
Other DBs
PubChem: 172232287
KCF data

ATOM        45
            1   C8y C    13.2358  -16.5925
            2   C8x C    13.2358  -17.9929
            3   C8x C    14.4261  -18.6931
            4   C8y C    15.6164  -17.9929
            5   C8y C    15.6164  -16.5925
            6   C8y C    14.4261  -15.8923
            7   N4x N    17.0168  -18.4830
            8   C8y C    17.7870  -17.2927
            9   C8y C    17.0168  -16.1724
            10  C1z C    19.0474  -16.8726
            11  C1y C    19.0474  -15.4722
            12  C1x C    17.7870  -15.0521
            13  C1z C    20.3077  -17.5027
            14  C1z C    21.4980  -16.8726
            15  C1x C    21.4980  -15.4722
            16  C1x C    20.3077  -14.8420
            17  C1x C    20.3077  -18.9731
            18  C1x C    21.4980  -19.6733
            19  C1y C    22.6884  -18.9731
            20  C1z C    22.6884  -17.5027
            21  O2x O    23.8786  -19.6733
            22  C1y C    25.0689  -18.9731
            23  C1y C    25.0689  -17.5027
            24  C1y C    23.8786  -16.8726
            25  C1a C    19.0474  -18.3430
            26  C1d C    26.3293  -19.6733
            27  C1a C    19.7476  -16.0323
            28  O1a O    27.5196  -18.9731
            29  C1a C    26.3293  -21.2838
            30  C1a C    27.5196  -20.3735
            31  O2x O    23.8786  -18.2729
            32  O1a O    26.2592  -16.8025
            33  O1a O    22.4783  -15.8923
            34  C1x C    14.4261  -14.5619
            35  C1y C    13.1658  -13.8617
            36  C1y C    11.9755  -14.5619
            37  C5x C    11.9755  -15.9623
            38  O5x O    10.7842  -16.6985
            39  C1z C    12.8677  -12.5133
            40  O2x O    11.4931  -12.3801
            41  C1z C    10.9417  -13.6462
            42  C1a C    14.2204  -12.1509
            43  C1a C    12.7540  -11.1372
            44  C1a C     9.7289  -12.9460
            45  C1a C     9.7289  -14.3464
BOND        53
            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

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