KEGG   COMPOUND: C08842Help
Entry
C08842                      Compound                               

Name
Withanolide D
Formula
C28H38O6
Exact mass
470.2668
Mol weight
470.5977
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Others
    C08842  Withanolide D
BRITE hierarchy
Other DBs
CAS: 
30655-48-2
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C1z C    23.0708  -21.4778
            2   C1z C    23.0766  -20.0979
            3   C1y C    24.2578  -22.1735
            4   O2x O    23.0591  -22.8460
            5   C1y C    21.8839  -22.1678
            6   C1y C    24.2695  -19.4196
            7   C5x C    21.8839  -19.4137
            8   C1a C    23.0649  -18.7237
            9   C1x C    25.4505  -21.4895
            10  C2x C    20.6910  -21.4778
            11  O1a O    21.9422  -23.5477
            12  C1y C    25.4505  -20.1153
            13  C1x C    24.2812  -18.0454
            14  C2x C    20.6910  -20.0979
            15  O5x O    21.8839  -18.0397
            16  C1y C    26.6492  -19.4371
            17  C1x C    25.4739  -17.3672
            18  C1z C    26.6668  -18.0571
            19  C1x C    29.0231  -19.4605
            20  C1y C    27.8538  -17.3906
            21  C1a C    26.6551  -16.6831
            22  C1x C    29.0408  -18.0865
            23  C1d C    27.8479  -16.0166
            24  C1y C    29.0348  -15.3266
            25  C1a C    26.6551  -15.3266
            26  O1a O    27.8421  -14.6367
            27  C1x C    30.2218  -16.0106
            28  O7x O    29.0291  -13.9525
            29  C2y C    31.4147  -15.3149
            30  C7x C    30.2160  -13.2684
            31  C2y C    31.4088  -13.9467
            32  C1a C    32.6017  -16.0049
            33  O6a O    30.2101  -11.8885
            34  C1a C    32.5957  -13.2567
BOND        39
            1     1   3 1
            2     1   4 1 #Up
            3     1   5 1
            4     2   6 1
            5     2   7 1
            6     2   8 1 #Up
            7     3   9 1
            8     5  10 1
            9     5  11 1 #Up
            10    6  12 1
            11    6  13 1
            12    7  14 1
            13    7  15 2
            14   12  16 1
            15   13  17 1
            16   16  18 1
            17   16  19 1
            18   18  20 1
            19   18  21 1 #Up
            20   19  22 1
            21   20  23 1
            22   23  24 1
            23   23  25 1 #Down
            24   23  26 1 #Up
            25   24  27 1
            26   24  28 1
            27   27  29 1
            28   28  30 1
            29   29  31 2
            30   29  32 1
            31   30  33 2
            32   31  34 1
            33    3   4 1 #Up
            34    9  12 1
            35   10  14 2
            36   17  18 1
            37   20  22 1
            38   30  31 1
            39    1   2 1

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