COMPOUND: C09662


Entry
C09662                      Compound                               
Name
Diacetoxyscirpenol
Formula
C19H26O7
Exact mass
366.1679
Mol weight
366.4055
Structure
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Trichothecenes
    C09662  Diacetoxyscirpenol
Other DBs
CAS: 2270-40-8
PubChem: 11852
ChEBI: 181805 4478
KNApSAcK: C00003129
3DMET: B03175
NIKKAJI: J23.977A
KCF data

ATOM        26
            1   C1z C    28.4761  -18.5851
            2   C1z C    27.3213  -19.2460
            3   C1y C    28.4750  -17.2431
            4   O2x O    27.5696  -17.5159
            5   C1x C    27.0809  -18.5610
            6   C1z C    26.1648  -18.5793
            7   C1y C    29.8053  -19.2484
            8   C1a C    27.3096  -20.5822
            9   C1y C    29.8183  -17.2431
            10  O2x O    27.3328  -16.5762
            11  C1y C    26.1708  -17.2372
            12  C1x C    25.0098  -19.2403
            13  C1b C    26.5992  -19.7895
            14  C2x C    25.0098  -16.5705
            15  C1x C    23.8475  -18.5793
            16  C2y C    23.8475  -17.2372
            17  C1a C    22.6924  -16.5705
            18  O7a O    31.0229  -19.8660
            19  C7a C    32.1932  -19.1895
            20  C1a C    33.3612  -19.8601
            21  O6a O    32.1932  -17.8345
            22  C1a C    25.1788  -23.2409
            23  C7a C    25.1788  -21.8928
            24  O6a O    24.0107  -21.2081
            25  O7a O    26.3471  -21.2069
            26  O1a O    30.7956  -16.2722
BOND        29
            1     7  18 1 #Up
            2     1   2 1
            3    18  19 1
            4     1   3 1
            5    19  20 1
            6     1   4 1 #Up
            7    19  21 2
            8     1   5 1
            9     2   6 1
            10    2   7 1
            11    2   8 1 #Up
            12    3   9 1
            13    3  10 1
            14    6  11 1
            15    6  12 1
            16    6  13 1 #Down
            17   11  14 1
            18   12  15 1
            19   14  16 2
            20   16  17 1
            21    4   5 1
            22    7   9 1
            23   22  23 1
            24   23  25 1
            25   10  11 1
            26   23  24 2
            27   15  16 1
            28   13  25 1
            29    9  26 1 #Down

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  All links  
Chemical substance (8)   
   PubChem (1)   
   ChEBI (2)   
   3DMET (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (8)   

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