KEGG   COMPOUND: C22346
Entry
C22346                      Compound                               
Name
1'-Hydroxy-1',2'-dihydro-beta,psi-caroten-4'-one
Formula
C40H56O2
Exact mass
568.428
Mol weight
568.8714
Structure
Reaction
R12752 R12753
Pathway
map00906  Carotenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.210
LinkDB
KCF data

ATOM        42
            1   C2y C     4.6221  -16.1775
            2   C2b C     5.8127  -15.4772
            3   C2b C     7.0033  -16.1775
            4   C2c C     8.2638  -15.4772
            5   C2b C     9.4544  -16.1775
            6   C2b C    10.6449  -15.4772
            7   C2b C    11.9055  -16.1775
            8   C2c C    13.0961  -15.4772
            9   C2b C    14.3567  -16.1775
            10  C2b C    15.5472  -15.4772
            11  C2b C    16.7378  -16.1775
            12  C2b C    17.9984  -15.4772
            13  C2c C    19.1889  -16.1775
            14  C2b C    20.3795  -15.4772
            15  C2b C    21.6401  -16.1775
            16  C2b C    22.8306  -15.4772
            17  C2c C    24.0212  -16.1775
            18  C2b C    25.2817  -15.4772
            19  C2b C    26.4723  -16.1775
            20  C2b C    27.6628  -15.4772
            21  C2c C    28.9234  -16.1775
            22  C5a C    30.1140  -15.4772
            23  C1b C    31.3045  -16.1775
            24  C1b C    32.5651  -15.4772
            25  C1d C    33.7557  -16.1775
            26  C1a C    34.9462  -15.4772
            27  C1a C     8.2638  -14.0765
            28  C1a C    13.0961  -14.0765
            29  C1a C    24.0212  -17.5782
            30  C1a C    28.9234  -17.5782
            31  O1a O    33.7557  -17.5782
            32  C1z C     3.3616  -15.4772
            33  C1x C     2.1710  -16.1775
            34  C1x C     2.1710  -17.5782
            35  C1x C     3.3616  -18.2785
            36  C2y C     4.6221  -17.5782
            37  C1a C     4.3420  -14.4967
            38  C1a C     2.3811  -14.4967
            39  C1a C     5.8127  -18.2785
            40  C1a C    19.1889  -17.5782
            41  C1a C    35.0863  -16.5277
            42  O5a O    30.1140  -14.0772
BOND        42
            1     1   2 1
            2     2   3 2
            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 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26    4  27 1
            27    8  28 1
            28   17  29 1
            29   21  30 1
            30   25  31 1
            31    1  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36    1  36 2
            37   32  37 1
            38   32  38 1
            39   36  39 1
            40   13  40 1
            41   25  41 1
            42   22  42 2

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