KEGG   COMPOUND: C10525Help
Entry
C10525                      Compound                               

Name
Rotenonone
Formula
C23H18O7
Exact mass
406.1053
Mol weight
406.3848
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1206 Rotenoid flavonoids
    C10525  Rotenonone
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Rotenones
    C10525  Rotenonone
BRITE hierarchy
Other DBs
CAS: 4439-62-7
PubChem: 12708
ChEBI: 8898
KNApSAcK: C00002569
3DMET: B03926
NIKKAJI: J8.729G
KCF data Show

ATOM        30
            1   C8y C    27.4297  -21.8179
            2   C8y C    28.6280  -22.5661
            3   C8y C    26.2023  -22.4901
            4   C8y C    27.4648  -20.4267
            5   C8y C    28.6571  -23.9630
            6   C8x C    29.8671  -21.9055
            7   O2x O    25.0915  -21.8238
            8   C8y C    26.1613  -23.8987
            9   C8y C    26.3483  -19.6961
            10  O5x O    28.7039  -19.7546
            11  C8x C    29.7737  -24.7112
            12  O7x O    27.3479  -24.6293
            13  C8y C    31.0595  -22.6362
            14  C8y C    25.0507  -20.3682
            15  O6a O    24.9280  -24.5650
            16  C8x C    26.3074  -18.3050
            17  C8y C    31.0828  -24.0508
            18  O2a O    32.2986  -21.9757
            19  C8y C    23.9401  -19.6377
            20  C8x C    25.1268  -17.5861
            21  O2a O    32.1934  -24.7813
            22  C1a C    33.4852  -22.7122
            23  C8y C    23.9052  -18.2582
            24  C1x C    22.5491  -20.0351
            25  C1a C    33.4267  -24.1208
            26  O2x O    22.6017  -17.8082
            27  C1y C    21.7658  -18.9011
            28  C2c C    20.8015  -17.8607
            29  C1a C    19.5388  -18.5447
            30  C2a C    20.7840  -16.4347
BOND        34
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 2
            15    9  16 1
            16   11  17 2
            17   13  18 1
            18   14  19 1
            19   16  20 2
            20   17  21 1
            21   18  22 1
            22   19  23 2
            23   19  24 1
            24   21  25 1
            25   23  26 1
            26   24  27 1
            27   27  28 1 #Down
            28   28  29 1
            29   28  30 2
            30    8  12 1
            31    9  14 2
            32   13  17 1
            33   20  23 1
            34   26  27 1

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