KEGG   COMPOUND: C13872
Entry
C13872                      Compound                               
Name
Caldarchaeol
Formula
C86H172O6
Exact mass
1301.3154
Mol weight
1302.2823
Structure
Brite
Lipids [BR:br08002]
 GL  Glycerolipids
  GL02 Diradylglycerols
   GL0205 Di-glycerol tetraethers
    C13872  Caldarchaeol
Other DBs
PubChem: 854117
ChEBI: 34606
3DMET: B05660
NIKKAJI: J576.786E
KCF data

ATOM        92
            1   C1b C     9.6948  -16.5252
            2   C1b C    10.9362  -15.8085
            3   C1c C    12.1775  -16.5252
            4   C1b C    13.4190  -15.8085
            5   C1b C    14.6604  -16.5252
            6   C1b C    15.9019  -15.8085
            7   C1c C    17.1435  -16.5252
            8   C1b C    18.3849  -15.8085
            9   C1b C    19.6264  -16.5252
            10  C1b C    20.8677  -15.8085
            11  C1c C    22.1091  -16.5252
            12  C1b C    23.3506  -15.8085
            13  C1b C    24.5920  -16.5252
            14  C1b C    25.8334  -15.8085
            15  C1c C    27.0749  -16.5252
            16  C1b C    28.3164  -15.8085
            17  C1b C    29.5578  -16.5252
            18  C1c C    30.7992  -15.8085
            19  C1b C    32.0406  -16.5252
            20  C1b C    33.2820  -15.8085
            21  C1b C    34.5236  -16.5252
            22  C1c C    35.7650  -15.8085
            23  C1b C    37.0064  -16.5252
            24  C1b C    38.2479  -15.8085
            25  C1b C    39.4892  -16.5252
            26  C1c C    40.7308  -15.8085
            27  C1b C    41.9722  -16.5252
            28  C1b C    43.2136  -15.8085
            29  C1b C    44.4551  -16.5252
            30  C1c C    45.6965  -15.8085
            31  C1b C    46.9379  -16.5252
            32  C1b C    48.1793  -15.8085
            33  O2a O     8.2613  -16.5252
            34  C1b C     6.8278  -16.5252
            35  C1c C     6.8278  -18.6755
            36  O2a O     8.2613  -18.6755
            37  C1b C     6.8278  -20.8257
            38  O1a O     8.2613  -20.8257
            39  C1b C     9.6948  -18.6755
            40  C1b C    10.9362  -17.9587
            41  C1c C    12.1775  -18.6755
            42  C1b C    13.4190  -17.9587
            43  C1b C    14.6604  -18.6755
            44  C1b C    15.9019  -17.9587
            45  C1c C    17.1435  -18.6755
            46  C1b C    18.3849  -17.9587
            47  C1b C    19.6264  -18.6755
            48  C1b C    20.8677  -17.9587
            49  C1c C    22.1091  -18.6755
            50  C1b C    23.3506  -17.9587
            51  C1b C    24.5920  -18.6755
            52  C1b C    25.8334  -17.9587
            53  C1c C    27.0749  -18.6755
            54  C1b C    28.3164  -17.9587
            55  C1b C    29.5578  -18.6755
            56  C1c C    30.7992  -17.9587
            57  C1b C    32.0406  -18.6755
            58  C1b C    33.2820  -17.9587
            59  C1b C    34.5236  -18.6755
            60  C1c C    35.7650  -17.9587
            61  C1b C    37.0064  -18.6755
            62  C1b C    38.2479  -17.9587
            63  C1b C    39.4892  -18.6755
            64  C1c C    40.7308  -17.9587
            65  C1b C    41.9722  -18.6755
            66  C1b C    43.2136  -17.9587
            67  C1b C    44.4551  -18.6755
            68  C1c C    45.6965  -17.9587
            69  C1b C    46.9379  -18.6755
            70  C1b C    48.1793  -17.9587
            71  O2a O    49.5935  -15.8085
            72  O2a O    49.5935  -17.9587
            73  C1b C    51.0270  -17.9587
            74  C1c C    51.0270  -15.8085
            75  C1b C    51.0270  -13.4671
            76  O1a O    49.5935  -13.4671
            77  C1a C    12.1775  -17.4351
            78  C1a C    12.1775  -19.8700
            79  C1a C    17.1435  -17.4351
            80  C1a C    17.1435  -19.8700
            81  C1a C    22.1091  -17.4351
            82  C1a C    22.1091  -19.8700
            83  C1a C    27.0749  -17.4351
            84  C1a C    27.0749  -19.8700
            85  C1a C    30.7992  -14.6140
            86  C1a C    30.7992  -17.0488
            87  C1a C    35.7650  -14.6140
            88  C1a C    35.7650  -17.0488
            89  C1a C    40.7308  -14.6141
            90  C1a C    40.7308  -17.0489
            91  C1a C    45.6965  -14.6141
            92  C1a C    45.6965  -17.0489
BOND        92
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    1  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   35  37 1
            37   37  38 1
            38   36  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   50  51 1
            51   51  52 1
            52   52  53 1
            53   53  54 1
            54   54  55 1
            55   55  56 1
            56   56  57 1
            57   57  58 1
            58   58  59 1
            59   59  60 1
            60   60  61 1
            61   61  62 1
            62   62  63 1
            63   63  64 1
            64   64  65 1
            65   65  66 1
            66   66  67 1
            67   67  68 1
            68   68  69 1
            69   69  70 1
            70   32  71 1
            71   70  72 1
            72   72  73 1
            73   71  74 1
            74   73  74 1
            75   74  75 1
            76   75  76 1
            77    3  77 1 #Down
            78   41  78 1 #Down
            79    7  79 1 #Down
            80   45  80 1 #Down
            81   11  81 1 #Down
            82   49  82 1 #Down
            83   15  83 1 #Down
            84   53  84 1 #Down
            85   18  85 1 #Down
            86   56  86 1 #Down
            87   22  87 1 #Down
            88   60  88 1 #Down
            89   26  89 1 #Down
            90   64  90 1 #Down
            91   30  91 1 #Down
            92   68  92 1 #Down

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