KEGG   COMPOUND: C19868
Entry
C19868                      Compound                               
Name
Bis(beta-D-glucosyl) crocetin;
Crocetin diglucosyl ester
Formula
C32H44O14
Exact mass
652.2731
Mol weight
652.6834
Structure
Reaction
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00900  Crocin biosynthesis, crocetin => crocin
Enzyme
2.4.1.271       2.4.1.330
Other DBs
PubChem: 135626335
KCF data

ATOM        46
            1   C2b C    36.1008  -20.3813
            2   C2c C    37.2843  -21.0775
            3   C2b C    34.9174  -21.0775
            4   C7a C    38.5375  -20.3813
            5   C1a C    37.2843  -22.4699
            6   C2b C    33.7339  -20.3813
            7   O7a O    38.5375  -18.9889
            8   O6a O    39.7210  -21.0775
            9   C2c C    32.4807  -21.0775
            10  C2b C    31.2972  -20.3813
            11  C1a C    32.4807  -22.4699
            12  C2b C    30.1137  -21.0775
            13  C2b C    28.8606  -20.3813
            14  C2b C    27.6770  -21.0775
            15  C2c C    26.4935  -20.3813
            16  C2b C    25.2404  -21.0775
            17  C1a C    26.4935  -18.9889
            18  C2b C    24.0568  -20.3813
            19  C2b C    22.8734  -21.0775
            20  C2c C    21.6899  -20.3813
            21  C7a C    20.4368  -21.0775
            22  C1a C    21.6899  -18.9889
            23  O7a O    20.4368  -22.4699
            24  O6a O    19.2532  -20.3813
            25  C1y C    19.2310  -23.1661
            26  O2x O    18.0420  -22.4794
            27  C1y C    16.8361  -23.1755
            28  C1y C    16.8359  -24.5679
            29  C1y C    18.0249  -25.2545
            30  C1y C    19.2308  -24.5584
            31  O1a O    18.0247  -26.6467
            32  C1b C    15.6116  -22.4684
            33  O1a O    14.2820  -23.2948
            34  O1a O    15.6197  -25.2699
            35  O1a O    20.4533  -25.2645
            36  C1y C    39.7433  -18.2928
            37  O2x O    40.9323  -18.9794
            38  C1y C    42.1382  -18.2833
            39  C1y C    42.1384  -16.8910
            40  C1y C    40.9494  -16.2043
            41  C1y C    39.7435  -16.9004
            42  O1a O    40.9495  -14.8121
            43  C1b C    43.3627  -18.9904
            44  O1a O    38.5210  -16.1943
            45  O1a O    43.3545  -16.1889
            46  O1a O    44.5642  -18.2966
BOND        47
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     6   9 1
            9     9  10 2
            10    9  11 1
            11   10  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   15  17 1
            17   16  18 2
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24   25  23 1 #Up
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   25  30 1
            31   29  31 1 #Up
            32   27  32 1 #Up
            33   32  33 1
            34   28  34 1 #Down
            35   30  35 1 #Down
            36   36   7 1 #Up
            37   36  37 1
            38   37  38 1
            39   38  39 1
            40   39  40 1
            41   40  41 1
            42   36  41 1
            43   40  42 1 #Up
            44   38  43 1 #Up
            45   41  44 1 #Down
            46   39  45 1 #Down
            47   43  46 1

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