KEGG   COMPOUND: C08783Help
Entry
C08783                      Compound                               

Name
Simalikilactone D
Formula
C25H34O9
Exact mass
478.2203
Mol weight
478.5321
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08783  Simalikilactone D
BRITE hierarchy
Other DBs
CAS: 
35321-80-3
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        34
            1   C1z C    24.2145  -15.9598
            2   C1y C    25.4503  -15.2602
            3   C1y C    22.9960  -15.2428
            4   C1y C    24.2085  -17.3764
            5   C1x C    23.7597  -14.9338
            6   C1z C    25.4620  -13.8436
            7   C1y C    26.6804  -15.9772
            8   C1z C    21.7542  -15.9481
            9   C1y C    23.0077  -13.8203
            10  C1x C    22.9844  -18.0935
            11  O7x O    25.4327  -18.1052
            12  O2x O    24.1969  -13.9253
            13  C1y C    24.2376  -13.1207
            14  C1a C    26.6978  -13.1381
            15  C7x C    26.6688  -17.4056
            16  O7a O    27.9046  -15.2545
            17  C1y C    21.7483  -17.3706
            18  C1y C    20.5299  -15.2369
            19  C1a C    21.7426  -14.8056
            20  O1a O    21.7659  -12.8990
            21  O1a O    24.2493  -11.6982
            22  O6a O    27.8929  -18.1285
            23  C7a C    29.1405  -15.9539
            24  C2y C    20.5299  -18.0876
            25  C5x C    19.2883  -15.9481
            26  O1a O    20.5299  -13.8144
            27  C1c C    30.3648  -15.2369
            28  O6a O    29.1521  -17.3764
            29  C2x C    19.2883  -17.3706
            30  C1a C    20.5358  -19.5101
            31  O5x O    18.0639  -15.2369
            32  C1b C    31.5949  -15.9307
            33  C1a C    30.3532  -13.8144
            34  C1a C    32.8250  -15.2135
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   15  22 2
            22   16  23 1
            23   17  24 1
            24   18  25 1
            25   18  26 1 #Up
            26   23  27 1
            27   23  28 2
            28   24  29 2
            29   24  30 1
            30   25  31 2
            31   27  32 1
            32   27  33 1 #Down
            33   32  34 1
            34    6  12 1 #Up
            35    9  13 1
            36   10  17 1
            37   11  15 1
            38   25  29 1

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