COMPOUND: C06080


Entry
C06080                      Compound                               
Name
Nivalenol
Formula
C15H20O7
Exact mass
312.1209
Mol weight
312.3151
Structure
Reaction
R03740
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Trichothecenes
    C06080  Nivalenol
Other DBs
CAS: 23282-20-4
PubChem: 8346
ChEBI: 7599
KNApSAcK: C00003167
3DMET: B01965
NIKKAJI: J54.417E
KCF data

ATOM        22
            1   C1z C    27.3381  -15.9386
            2   C1z C    26.1767  -16.6145
            3   C1y C    27.3440  -14.5925
            4   C1x C    25.9384  -15.9320
            5   O2x O    26.3306  -15.0365
            6   C1z C    25.0080  -15.9329
            7   C1y C    28.6957  -16.6029
            8   C1a C    26.1650  -17.9545
            9   O2x O    26.1825  -13.9225
            10  C1y C    28.6840  -14.5925
            11  C1y C    25.0140  -14.5868
            12  C1y C    23.8397  -16.6086
            13  C1b C    25.0597  -17.2204
            14  O1a O    29.8523  -17.2788
            15  O1a O    29.8408  -13.9167
            16  C2x C    23.8397  -13.9167
            17  C5x C    22.6653  -15.9329
            18  O1a O    23.1276  -17.6463
            19  O1a O    24.5064  -18.4426
            20  C2y C    22.6653  -14.5868
            21  O5x O    21.5026  -16.5969
            22  C1a C    21.5026  -13.9167
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1
            10    6  11 1
            11    6  12 1
            12    6  13 1 #Down
            13    7  14 1 #Up
            14   10  15 1 #Down
            15   11  16 1
            16   12  17 1
            17   12  18 1 #Down
            18   13  19 1
            19   16  20 2
            20   17  21 2
            21   20  22 1
            22    4   5 1
            23    7  10 1
            24    9  11 1
            25   17  20 1

» Japanese version

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Pathway (1)   
   KEGG PATHWAY (1)   
Chemical substance (7)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
Chemical reaction (1)   
   KEGG REACTION (1)   
All databases (9)   

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