KEGG   COMPOUND: C07593Help
Entry
C07593                      Compound                               

Name
Rotenone
Formula
C23H22O6
Exact mass
394.1416
Mol weight
394.4172
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Source: Pachyrhizus erosus [TAX:109171]
rotenoid
insecticide
Reaction
Pathway
Isoflavonoid biosynthesis
Biosynthesis of phenylpropanoids
Biosynthesis of secondary metabolites
Parkinson's disease
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1206 Rotenoid flavonoids
    C07593  Rotenone
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Rotenones
    C07593  Rotenone
Pesticides [BR:br08007]
 Pesticides
  Insecticides
   Others
    C07593  Rotenone
BRITE hierarchy
Other DBs
CAS: 
83-79-4
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8y C    26.3900  -40.6700
            2   C8y C    26.3900  -42.0700
            3   C5x C    27.6024  -42.7700
            4   C1y C    28.8149  -42.0700
            5   C1y C    28.8149  -40.6700
            6   O2x O    27.6024  -39.9700
            7   C8y C    25.1776  -39.9700
            8   C8y C    23.9651  -40.6700
            9   C8x C    23.9651  -42.0700
            10  C8x C    25.1776  -42.7700
            11  C8y C    30.0273  -42.7700
            12  C8y C    31.2397  -42.0700
            13  O2x O    31.2397  -40.6700
            14  C1x C    30.0273  -39.9700
            15  C8x C    30.0273  -44.1700
            16  C8y C    31.2397  -44.8700
            17  C8y C    32.4522  -44.1700
            18  C8x C    32.4522  -42.7700
            19  O2a O    33.6853  -44.8822
            20  C1a C    34.8915  -44.1860
            21  O2a O    31.2397  -46.2699
            22  C1a C    32.4374  -46.9614
            23  O5x O    27.6024  -44.1698
            24  C1x C    24.8865  -38.6006
            25  C1y C    23.4941  -38.4542
            26  O2x O    22.9247  -39.7332
            27  C2c C    22.7902  -37.2353
            28  C2a C    21.4200  -37.2356
            29  C1a C    23.4950  -36.0135
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    4  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 1
            16    5  14 1
            17   11  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   12  18 1
            22   17  19 1
            23   19  20 1
            24   16  21 1
            25   21  22 1
            26    3  23 2
            27    7  24 1
            28   24  25 1
            29   25  26 1
            30    8  26 1
            31   25  27 1 #Up
            32   27  28 2
            33   27  29 1

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