KEGG   COMPOUND: C20551Help
Entry
C20551                      Compound                               

Name
Lolitrem B
Formula
C42H55NO7
Exact mass
685.3979
Mol weight
685.8886
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-       1.14.21.-
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Indole diterpene alkaloids
    C20551  Lolitrem B
BRITE hierarchy
Other DBs
CAS: 81771-19-9
PubChem: 172232290
LinkDB All DBs
KCF data Show

ATOM        50
            1   C8y C    12.0265  -16.5831
            2   C8x C    12.0265  -17.9820
            3   C8x C    13.2155  -18.6814
            4   C8y C    14.4046  -17.9820
            5   C8y C    14.4046  -16.5831
            6   C8y C    13.2155  -15.8837
            7   N4x N    15.8035  -18.4716
            8   C8y C    16.5729  -17.2825
            9   C8y C    15.8035  -16.1635
            10  C1z C    17.8319  -16.8629
            11  C1y C    17.8319  -15.4640
            12  C1x C    16.5729  -15.0444
            13  C1z C    19.0908  -17.4924
            14  C1z C    20.2799  -16.8629
            15  C1x C    20.2799  -15.4640
            16  C1x C    19.0908  -14.8346
            17  C1x C    19.0908  -18.9612
            18  C1x C    20.2799  -19.6606
            19  C1y C    21.4689  -18.9612
            20  C1z C    21.4689  -17.4924
            21  O2x O    22.6579  -19.6606
            22  C1y C    23.8469  -18.9612
            23  C1y C    23.8469  -17.4924
            24  C1y C    22.6579  -16.8629
            25  C1a C    17.8318  -18.3317
            26  C1z C    25.1059  -19.6606
            27  C1a C    18.5313  -16.0236
            28  O2x O    26.2949  -18.9612
            29  C1a C    25.1059  -21.2693
            30  C1a C    26.2949  -20.3600
            31  O2x O    22.6579  -18.2617
            32  O2x O    25.0360  -16.7929
            33  O1a O    21.2591  -15.8837
            34  C1x C    13.2155  -14.5547
            35  C1y C    11.9566  -13.8553
            36  C1y C    10.7675  -14.5547
            37  C5x C    10.7675  -15.9536
            38  O5x O     9.5785  -16.7230
            39  C1z C    11.6768  -12.5263
            40  O2x O    10.2779  -12.3865
            41  C1z C     9.7184  -13.6454
            42  C1a C    13.0057  -12.1766
            43  C1a C    11.5369  -11.1275
            44  C1a C     8.5294  -12.9460
            45  C1a C     8.5294  -14.3449
            46  C1y C    26.2949  -17.5623
            47  C2b C    27.5539  -16.8629
            48  C2c C    27.5539  -15.4640
            49  C1a C    28.7429  -14.7646
            50  C1a C    26.2949  -14.7646
BOND        59
            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 #Down
            56   47  48 2
            57   48  49 1
            58   48  50 1
            59   46  32 1

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