KEGG   COMPOUND: C08860Help
Entry
C08860                      Compound                               

Name
Decoside;
Decogenin 3-O-alpha-L-oleandroside
Formula
C30H42O9
Exact mass
546.2829
Mol weight
546.6491
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Cardanolide
    C08860  Decoside
BRITE hierarchy
Other DBs
CAS: 111508-63-5
PubChem: 11053
ChEBI: 4351
KNApSAcK: C00003614
3DMET: B02469
NIKKAJI: J2.767.229I
KCF data Show

ATOM        39
            1   C1y C    22.0674  -20.0239
            2   C1x C    22.0343  -21.4092
            3   O2x O    20.8889  -19.3050
            4   C1y C    20.8237  -22.0625
            5   C1y C    19.6754  -19.9633
            6   C1y C    19.6472  -21.3516
            7   O2a O    20.7885  -23.4398
            8   C1a C    18.5020  -19.2474
            9   O1a O    18.4366  -22.0049
            10  C1a C    19.5639  -24.1052
            11  C1z C    30.5922  -15.5656
            12  C1z C    30.5746  -16.9345
            13  C1y C    31.7979  -14.8900
            14  C5x C    29.4098  -14.8667
            15  C1a C    30.5863  -14.1853
            16  C1y C    29.3865  -17.6159
            17  C1x C    32.9570  -16.9635
            18  O1a O    30.5632  -18.3091
            19  C2y C    31.8096  -13.5154
            20  C1x C    32.9744  -15.5948
            21  C2y C    28.2158  -15.5423
            22  O5x O    29.4215  -13.4863
            23  C2y C    28.2041  -16.9169
            24  C1x C    29.3865  -18.9964
            25  C1x C    31.3844  -12.2107
            26  C2x C    33.1842  -13.5154
            27  O1a O    27.0217  -14.8435
            28  C1z C    26.9984  -17.6042
            29  C1x C    28.1925  -19.6778
            30  O7x O    32.4969  -11.4011
            31  C7x C    33.6036  -12.2107
            32  C1y C    26.9927  -18.9848
            33  C1x C    25.8103  -16.9169
            34  C1a C    26.9868  -16.2239
            35  O6a O    34.9140  -11.7798
            36  C1x C    25.8103  -19.6721
            37  C1x C    24.6163  -17.6042
            38  C1y C    24.6163  -18.9848
            39  O2a O    23.4222  -19.6721
BOND        44
            1     5   6 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     3   5 1
            6     4   6 1
            7     4   7 1 #Down
            8     5   8 1 #Down
            9     6   9 1 #Up
            10   11  12 1
            11   11  13 1
            12   11  14 1
            13   11  15 1 #Up
            14   12  16 1
            15   12  17 1
            16   12  18 1 #Up
            17   13  19 1
            18   13  20 1
            19   14  21 1
            20   14  22 2
            21   16  23 1
            22   16  24 1
            23   19  25 1
            24   19  26 2
            25   21  27 1
            26   23  28 1
            27   24  29 1
            28   25  30 1
            29   26  31 1
            30   28  32 1
            31   28  33 1
            32   28  34 1 #Up
            33   31  35 2
            34   32  36 1
            35   33  37 1
            36   36  38 1
            37   38  39 1 #Up
            38   17  20 1
            39   21  23 2
            40   29  32 1
            41   30  31 1
            42   37  38 1
            43    1  39 1 #Up
            44    7  10 1

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