KEGG   COMPOUND: C17057
Entry
C17057                      Compound                               
Name
Puerarin xyloside
Formula
C26H28O13
Exact mass
548.153
Mol weight
548.4927
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C17057  Puerarin xyloside
Glycosides [BR:br08021]
 C-glycosides
  C17057  Puerarin xyloside
Other DBs
PubChem: 96023535
ChEBI: 80896
LinkDB
KCF data

ATOM        39
            1   C1y C    24.6400  -20.0900
            2   C1y C    23.4500  -19.3900
            3   C1y C    23.4500  -17.9900
            4   C1y C    24.7100  -17.2900
            5   C1y C    25.8300  -18.0600
            6   O2x O    25.8300  -19.4600
            7   O1a O    22.1900  -20.0900
            8   O1a O    22.2600  -17.2900
            9   O1a O    24.7100  -15.8900
            10  C1b C    27.0900  -17.3600
            11  O1a O    27.1600  -15.9600
            12  C8y C    24.5700  -21.4900
            13  C8y C    25.8300  -22.1900
            14  C8y C    25.8300  -23.5900
            15  O2x O    27.0200  -21.4900
            16  C8y C    23.3800  -22.1900
            17  C8y C    27.0200  -24.2900
            18  C8x C    24.5700  -24.2900
            19  C8x C    28.2100  -22.1900
            20  C8x C    23.3800  -23.5900
            21  O2a O    22.1900  -21.4900
            22  C8y C    28.2100  -23.6600
            23  O5x O    27.0200  -25.6900
            24  C8y C    29.4700  -24.3600
            25  C8x C    29.4700  -25.6900
            26  C8x C    30.6600  -23.6600
            27  C8x C    30.6600  -26.4600
            28  C8x C    31.8500  -24.3600
            29  C8y C    31.8500  -25.7600
            30  O1a O    33.0400  -26.4600
            31  C1y C    20.9719  -22.1801
            32  O2x O    19.8605  -21.4850
            33  C1x C    18.6423  -22.1750
            34  C1y C    18.6308  -23.5750
            35  C1y C    19.8123  -24.2701
            36  C1y C    21.0304  -23.5801
            37  O1a O    22.2350  -24.2493
            38  O1a O    17.3980  -24.2732
            39  O1a O    19.8007  -25.6900
BOND        43
            1     4   9 1 #Down
            2     5  10 1 #Up
            3    10  11 1
            4     1  12 1 #Up
            5     1   2 1
            6     2   3 1
            7     3   4 1
            8     4   5 1
            9     5   6 1
            10    6   1 1
            11    2   7 1 #Down
            12    3   8 1 #Up
            13   13  12 1
            14   13  14 2
            15   13  15 1
            16   12  16 2
            17   14  17 1
            18   14  18 1
            19   15  19 1
            20   16  20 1
            21   16  21 1
            22   17  22 1
            23   17  23 2
            24   22  24 1
            25   24  25 2
            26   24  26 1
            27   25  27 1
            28   26  28 2
            29   27  29 2
            30   29  30 1
            31   18  20 2
            32   19  22 2
            33   28  29 1
            34   31  21 1 #Down
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   31  36 1
            41   36  37 1 #Down
            42   34  38 1 #Down
            43   35  39 1 #Up

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