KEGG   COMPOUND: C10464
Entry
C10464                      Compound                               

Name
12a-Hydroxyrotenone
Formula
C23H22O7
Exact mass
410.1366
Mol weight
410.4166
Structure
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Rotenones
    C10464  12a-Hydroxyrotenone
Other DBs
CAS: 509-96-6
PubChem: 12647
ChEBI: 68051
ChEMBL: CHEMBL240545
KNApSAcK: C00002537
3DMET: B03869
NIKKAJI: J12.204A
KCF data

ATOM        30
            1   C1z C    27.3714  -21.7893
            2   C8y C    28.5528  -22.5261
            3   C1y C    26.1491  -22.4619
            4   C5x C    27.3365  -20.4091
            5   O1a O    28.6170  -21.0057
            6   C8y C    28.5819  -23.9122
            7   C8x C    29.7808  -21.8771
            8   O2x O    24.9796  -21.7952
            9   C1x C    26.1841  -23.8537
            10  C8y C    26.2252  -19.6841
            11  O5x O    28.6287  -19.7424
            12  C8x C    29.6872  -24.6549
            13  O2x O    27.2896  -24.5789
            14  C8y C    30.9680  -22.5964
            15  C8y C    25.0087  -20.3565
            16  C8x C    26.2544  -18.3097
            17  C8y C    30.9212  -23.9999
            18  O2a O    32.1902  -21.9471
            19  C8y C    23.8450  -19.6373
            20  C8x C    25.0849  -17.5962
            21  O2a O    32.0849  -24.7251
            22  C1a C    33.3657  -22.6723
            23  C8y C    23.8801  -18.2688
            24  C1x C    22.5350  -20.0233
            25  C1a C    33.3072  -24.0701
            26  O2x O    22.5876  -17.8185
            27  C1y C    21.7572  -18.9061
            28  C2c C    20.7982  -17.8711
            29  C1a C    19.5525  -18.5495
            30  C2a C    20.7808  -16.4558
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 2
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15   10  16 1
            16   12  17 2
            17   14  18 1
            18   15  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    9  13 1
            31   10  15 2
            32   14  17 1
            33   20  23 1
            34   26  27 1

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