KEGG   COMPOUND: C09761
Entry
C09761                      Compound                               
Name
Kolaflavanone
Formula
C31H24O12
Exact mass
588.1268
Mol weight
588.5151
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1204 Biflavonoids and polyflavonoids
    C09761  Kolaflavanone
Phytochemical compounds [BR:br08003]
 Flavonoids
  Complex flavonoids
   Biflavonoids and polyflavonoids
    C09761  Kolaflavanone
Other DBs
CAS: 68705-66-8
PubChem: 11949
ChEBI: 28521
LIPIDMAPS: LMPK12040002
KNApSAcK: C00000976
3DMET: B03259
NIKKAJI: J602.968J
LinkDB
KCF data

ATOM        43
            1   C1y C    24.1093  -13.6210
            2   C8y C    25.8573  -14.9648
            3   C1y C    24.0451  -12.2245
            4   C5x C    22.8297  -14.3099
            5   C8y C    25.8573  -16.3611
            6   C8y C    27.0716  -14.2689
            7   O2x O    22.8414  -11.5228
            8   C8y C    21.6201  -13.6093
            9   O5x O    22.8240  -15.4202
            10  C8y C    27.0716  -17.0617
            11  O2x O    24.6477  -17.0617
            12  C8x C    28.2751  -14.9648
            13  O1a O    27.0774  -13.0767
            14  C8y C    21.6259  -12.2186
            15  C8y C    20.4234  -14.3099
            16  C5x C    27.0716  -18.4581
            17  C8y C    28.2751  -16.3611
            18  C1y C    24.6477  -18.4641
            19  C8x C    20.4234  -11.5171
            20  C8x C    19.2079  -13.6093
            21  O1a O    20.4294  -15.4961
            22  C1y C    25.8632  -19.1599
            23  O5x O    28.2810  -19.1599
            24  O1a O    29.4849  -17.0617
            25  C8y C    23.4380  -19.1658
            26  C8y C    19.2079  -12.2186
            27  O1a O    25.8632  -20.5562
            28  C8x C    22.2343  -18.4641
            29  C8x C    23.4497  -20.5621
            30  O1a O    17.9985  -11.5171
            31  C8y C    21.0305  -19.1658
            32  C8x C    22.2403  -21.2567
            33  C8y C    21.0305  -20.5621
            34  O1a O    19.8150  -18.4698
            35  O2a O    19.8209  -21.2626
            36  C1a C    18.6113  -20.5621
            37  C8y C    25.2575  -11.5313
            38  C8x C    26.4644  -12.2420
            39  C8x C    25.2606  -10.1380
            40  C8x C    27.6740  -11.5462
            41  C8x C    26.4761   -9.4434
            42  C8y C    27.6797  -10.1497
            43  O1a O    28.8952   -9.4551
BOND        48
            1     4   8 1
            2     4   9 2
            3     5  10 1
            4     5  11 1
            5     6  12 2
            6     6  13 1
            7     7  14 1
            8     8  15 1
            9    10  16 1
            10   10  17 2
            11   11  18 1
            12   14  19 1
            13   15  20 2
            14   15  21 1
            15   16  22 1
            16   16  23 2
            17   17  24 1
            18   18  25 1 #Up
            19   19  26 2
            20   22  27 1 #Down
            21   25  28 2
            22   25  29 1
            23   26  30 1
            24   28  31 1
            25   29  32 2
            26   31  33 2
            27   31  34 1
            28   33  35 1
            29   35  36 1
            30    8  14 2
            31   12  17 1
            32   18  22 1
            33   20  26 1
            34   32  33 1
            35    3  37 1 #Down
            36    1   2 1 #Up
            37    1   3 1
            38    1   4 1
            39    2   5 2
            40    2   6 1
            41    3   7 1
            42   37  38 2
            43   37  39 1
            44   38  40 1
            45   39  41 2
            46   40  42 2
            47   42  43 1
            48   41  42 1

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