KEGG   COMPOUND: C20548Help
Entry
C20548                      Compound                               

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

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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