KEGG   COMPOUND: C19868Help
Entry
C19868                      Compound                               

Name
Bis(beta-D-glucosyl) crocetin;
Crocetin diglucosyl ester
Formula
C32H44O14
Exact mass
652.2731
Mol weight
652.6834
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00999  Biosynthesis of secondary metabolites - unclassified
map01110  Biosynthesis of secondary metabolites
Enzyme
2.4.1.271       2.4.1.330
Other DBs
PubChem: 135626335
KCF data Show

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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