KEGG   COMPOUND: C17522
Entry
C17522                      Compound                               
Name
Mallogenin-3-o-alpha-L-rhamnopyranoside;
Malloside
Formula
C29H44O9
Exact mass
536.2985
Mol weight
536.6543
Structure
Brite
Glycosides [BR:br08021]
 O-glycosides
  Cardiac glycosides
   C17522  Mallogenin-3-o-alpha-L-rhamnopyranoside
Other DBs
CAS: 17489-40-6
PubChem: 96023867
ChEBI: 81155
NIKKAJI: J53.673C
LinkDB
KCF data

ATOM        38
            1   C1x C    26.4244  -21.7633
            2   C1y C    26.4244  -23.1392
            3   C1x C    27.6160  -23.8272
            4   C1y C    28.8077  -23.1392
            5   C1z C    28.8077  -21.7633
            6   C1x C    27.6160  -21.0753
            7   C1x C    29.9993  -23.8272
            8   C1x C    31.1908  -23.1392
            9   C1y C    31.1908  -21.7633
            10  C1y C    29.9993  -21.0753
            11  C1z C    32.3825  -21.0753
            12  C1z C    32.3825  -19.6993
            13  C1x C    31.1908  -19.0114
            14  C1y C    29.9993  -19.6993
            15  C1x C    34.7657  -21.0753
            16  C1x C    34.7657  -19.6993
            17  C1y C    33.5741  -19.0114
            18  C1a C    32.3825  -18.3234
            19  C1a C    28.8077  -20.3873
            20  O1a O    32.3825  -22.4512
            21  C2y C    33.5741  -17.6354
            22  C1x C    34.6908  -16.8241
            23  O7x O    34.2642  -15.5114
            24  C7x C    32.8840  -15.5114
            25  C2x C    32.4575  -16.8241
            26  O6a O    32.0736  -14.3961
            27  O2a O    25.2328  -23.8272
            28  C1y C    24.0412  -24.5152
            29  O2x O    22.8312  -23.8164
            30  C1y C    21.6395  -24.5042
            31  C1y C    21.6393  -25.8801
            32  C1y C    22.8493  -26.5789
            33  C1y C    24.0410  -25.8911
            34  O1a O    20.4198  -26.5841
            35  C1a C    20.4300  -23.8052
            36  O1a O    22.8491  -27.9551
            37  O1a O    25.2140  -26.5688
            38  O1a O    28.7979  -19.0053
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22    5  19 1 #Up
            23   11  20 1 #Up
            24   17  21 1 #Up
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   21  25 2
            30   24  26 2
            31    2  27 1 #Up
            32   28  27 1 #Up
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   28  33 1
            39   31  34 1 #Up
            40   30  35 1 #Down
            41   32  36 1 #Down
            42   33  37 1 #Down
            43   14  38 1 #Up

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