KEGG   COMPOUND: C22060
Entry
C22060                      Compound                               
Name
Dihydrobisanhydrobacterioruberin
Formula
C50H74O2
Exact mass
706.5689
Mol weight
707.1214
Structure
Reaction
Pathway
map00906  Carotenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.99.37       2.5.1.150
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0108 Polyterpenes
    C22060  Dihydrobisanhydrobacterioruberin
Other DBs
PubChem: 384585120
LIPIDMAPS: LMPR01080026
KCF data

ATOM        52
            1   C1a C     1.7519  -15.1231
            2   C1d C     2.9420  -14.4230
            3   C1c C     4.2022  -15.1231
            4   C2b C     5.3924  -14.4230
            5   C2b C     6.5826  -15.1231
            6   C2c C     7.8428  -14.4230
            7   C2b C     9.0330  -15.1231
            8   C2b C    10.2232  -14.4230
            9   C2b C    11.4834  -15.1231
            10  C2c C    12.6736  -14.4230
            11  C2b C    13.8638  -15.1231
            12  C2b C    15.1240  -14.4230
            13  C2b C    16.3142  -15.1231
            14  C2c C    17.5043  -14.4230
            15  C2b C    18.6945  -15.1231
            16  C2b C    19.9547  -14.4230
            17  C2b C    21.1449  -15.1231
            18  C2b C    22.3351  -14.4230
            19  C2c C    23.5953  -15.1231
            20  C2b C    24.7855  -14.4230
            21  C2b C    25.9757  -15.1231
            22  C2b C    27.2359  -14.4230
            23  C2c C    28.4261  -15.1231
            24  C2b C    29.6163  -14.4230
            25  C2b C    30.8765  -15.1231
            26  C2b C    32.0666  -14.4230
            27  C2c C    33.2568  -15.1231
            28  C1b C    34.5170  -14.4230
            29  C1b C    35.7072  -15.1231
            30  C1c C    36.8974  -14.4230
            31  C1d C    38.1576  -15.1231
            32  C1a C    39.3478  -14.4230
            33  O1a O     2.9420  -13.0228
            34  C1a C     7.8428  -13.0228
            35  C1a C    12.6736  -13.0228
            36  C1a C    17.5043  -13.0228
            37  C1a C    23.5953  -16.5234
            38  C1a C    28.4261  -16.5234
            39  C1a C    33.2568  -16.5234
            40  C1b C     4.2022  -16.5234
            41  C2b C     2.9420  -17.2235
            42  C2c C     2.9420  -18.6237
            43  C1a C     1.7519  -19.3238
            44  C1a C     4.1322  -19.3238
            45  O1a O    38.1576  -16.7334
            46  C1a C     1.7519  -13.7229
            47  C1b C    36.8974  -13.0230
            48  C2b C    37.8874  -12.0331
            49  C2c C    37.8874  -10.6331
            50  C1a C    39.0838   -9.9423
            51  C1a C    36.6650   -9.9272
            52  C1a C    39.3700  -15.8231
BOND        51
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39    3  40 1 #Down
            40   40  41 1
            41   41  42 2
            42   42  43 1
            43   42  44 1
            44   31  45 1
            45    2  46 1
            46   30  47 1 #Down
            47   47  48 1
            48   48  49 2
            49   49  50 1
            50   49  51 1
            51   31  52 1

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