KEGG   COMPOUND: C08585
Entry
C08585                      Compound                               

Name
Capsorubin
Formula
C40H56O4
Exact mass
600.4179
Mol weight
600.8702
Structure
Reaction
Pathway
map00906  Carotenoid biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0107 C40 isoprenoids (tetraterpenes)
    C08585  Capsorubin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Carotenoids
    C08585  Capsorubin
Other DBs
CAS: 470-38-2
PubChem: 10778
ChEBI: 3378
KNApSAcK: C00003764
3DMET: B02243
NIKKAJI: J5.936F
LinkDB
KCF data

ATOM        44
            1   C1z C    38.4802  -18.9762
            2   C1x C    38.0472  -17.6520
            3   C1z C    39.8708  -18.9762
            4   C5a C    38.1139  -20.3418
            5   C1a C    37.0728  -18.9762
            6   C1y C    39.1796  -16.8275
            7   C1x C    40.3123  -17.6520
            8   C1a C    40.2374  -20.3252
            9   C1a C    41.2783  -18.9677
            10  C2b C    36.9064  -21.0330
            11  O5a O    39.3296  -21.0330
            12  O1a O    39.1630  -15.4203
            13  C2b C    35.6904  -20.3418
            14  C2c C    34.4747  -21.0330
            15  C2b C    33.2672  -20.3418
            16  C1a C    34.4662  -22.4405
            17  C2b C    32.0597  -21.0330
            18  C2b C    30.8437  -20.3418
            19  C2c C    29.6362  -21.0330
            20  C2b C    28.4205  -20.3418
            21  C1a C    29.6280  -22.4405
            22  C2b C    27.2045  -21.0330
            23  C2b C    25.9888  -20.3418
            24  C2b C    24.7813  -21.0330
            25  C2c C    23.5738  -20.3418
            26  C2b C    22.3578  -21.0330
            27  C1a C    23.5653  -18.9346
            28  C2b C    21.1503  -20.3418
            29  C2b C    19.9346  -21.0330
            30  C2c C    18.7186  -20.3418
            31  C2b C    17.5111  -21.0330
            32  C1a C    18.7186  -18.9346
            33  C2b C    16.2954  -20.3418
            34  C5a C    15.0879  -21.0330
            35  C1z C    14.3967  -22.2656
            36  O5a O    13.8719  -20.3418
            37  C1x C    14.8046  -23.6062
            38  C1z C    12.9892  -22.2405
            39  C1a C    15.7957  -22.2572
            40  C1y C    13.6637  -24.4225
            41  C1x C    12.5396  -23.5729
            42  C1a C    11.6318  -21.8742
            43  C1a C    12.6229  -20.8833
            44  O1a O    13.6555  -25.8215
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 2
            11    6  12 1 #Up
            12   10  13 2
            13   13  14 1
            14   14  15 2
            15   14  16 1
            16   15  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 2
            20   19  21 1
            21   20  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   25  27 1
            27   26  28 2
            28   28  29 1
            29   29  30 2
            30   30  31 1
            31   30  32 1
            32   31  33 2
            33   33  34 1
            34   35  34 1 #Down
            35   34  36 2
            36   35  37 1
            37   35  38 1
            38   35  39 1 #Up
            39   37  40 1
            40   38  41 1
            41   38  42 1
            42   38  43 1
            43   40  44 1 #Up
            44    6   7 1
            45   40  41 1

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