KEGG   COMPOUND: C09747Help
Entry
C09747                      Compound                               

Name
Vomitoxin;
Deoxynivalenol;
DON
Formula
C15H20O6
Exact mass
296.126
Mol weight
296.3157
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010318 Trichothecane sesquiterpenoids
     C09747  Vomitoxin
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C09747  Deoxynivalenol
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Trichothecenes
    C09747  Vomitoxin
BRITE hierarchy
Other DBs
CAS: 
51481-10-8
PubChem: 
LIPIDMAPS: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1x C    25.7702  -15.9796
            2   O2x O    26.3374  -14.9294
            3   C1z C    27.3442  -15.9597
            4   C1z C    26.2022  -16.6092
            5   C1y C    27.3501  -14.6311
            6   C1z C    25.0639  -15.9480
            7   C1x C    28.6974  -16.6163
            8   C1a C    26.1906  -17.9201
            9   O2x O    26.2139  -13.9630
            10  C1y C    28.6668  -14.6311
            11  C1y C    25.0698  -14.6195
            12  C1y C    23.9266  -16.6034
            13  C1b C    25.4130  -17.3012
            14  O1a O    29.6081  -13.6898
            15  C2x C    23.9266  -13.9571
            16  C5x C    22.7850  -15.9480
            17  O1a O    22.9750  -17.5375
            18  O1a O    24.7998  -18.3256
            19  C2y C    22.7850  -14.6195
            20  O5x O    21.6350  -16.6034
            21  C1a C    21.6350  -13.9571
BOND        24
            1     1   2 1
            2     3   4 1
            3     3   5 1
            4     3   2 1 #Down
            5     4   6 1
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    6  13 1 #Down
            13   10  14 1 #Down
            14   11  15 1
            15   12  16 1
            16   12  17 1 #Down
            17   13  18 1
            18   15  19 2
            19   16  20 2
            20   19  21 1
            21    7  10 1
            22    9  11 1
            23   16  19 1
            24    3   1 1

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