KEGG   COMPOUND: C10100
Entry
C10100                      Compound                               
Name
Kuwanone H
Formula
C45H44O11
Exact mass
760.2884
Mol weight
760.8243
Structure
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Complex flavonoids
   Diels-Alder adduct of chalcone
    C10100  Kuwanone H
Other DBs
CAS: 76472-87-2
PubChem: 12286
ChEBI: 6147
KNApSAcK: C00001064
3DMET: B03539
NIKKAJI: J46.690E
LinkDB
KCF data

ATOM        56
            1   C1y C    28.3207  -28.4416
            2   C1y C    27.1144  -27.7423
            3   C2x C    29.5327  -27.7423
            4   C1y C    27.1203  -26.3496
            5   C5a C    25.6341  -27.7189
            6   C2y C    29.5327  -26.3496
            7   C1x C    28.3264  -25.6503
            8   C8y C    24.9174  -26.3553
            9   O5a O    24.8708  -28.9893
            10  C1a C    30.7390  -25.6560
            11  C8y C    23.5247  -26.4079
            12  C8x C    25.6341  -25.2306
            13  C8y C    22.8428  -25.1140
            14  O1a O    22.8079  -27.6025
            15  C8x C    24.9582  -24.0127
            16  C8y C    23.5655  -23.9894
            17  C1b C    21.4501  -25.1607
            18  O1a O    22.8895  -22.7714
            19  C2b C    20.7333  -26.2853
            20  C2c C    19.3406  -26.3320
            21  C1a C    18.6239  -27.5266
            22  C1a C    18.6646  -25.1140
            23  C8y C    27.1108  -24.8342
            24  C8y C    28.3207  -24.1350
            25  C8x C    25.9023  -24.1350
            26  C8x C    28.3207  -22.7423
            27  O1a O    29.5270  -24.8286
            28  C8x C    25.9023  -22.7423
            29  C8y C    27.1144  -22.0430
            30  O1a O    27.1144  -20.6615
            31  C8y C    28.3193  -29.8358
            32  C8y C    29.5210  -30.5278
            33  C8y C    29.5153  -31.9264
            34  O2x O    30.7333  -29.8402
            35  C8y C    27.1086  -30.5278
            36  C8y C    30.7216  -32.6257
            37  C8y C    28.3207  -32.6198
            38  C8y C    31.9395  -30.5395
            39  C8x C    27.1086  -31.9264
            40  O1a O    25.9023  -29.8343
            41  C8y C    31.9336  -31.9322
            42  O5x O    30.7157  -34.0184
            43  O1a O    28.3207  -34.0184
            44  C8y C    33.1458  -29.8459
            45  C1b C    33.1342  -32.6374
            46  C8y C    33.1516  -28.4591
            47  C8x C    34.3521  -30.5569
            48  C2b C    33.1283  -34.0301
            49  C8x C    34.3638  -27.7656
            50  O1a O    31.9453  -27.7598
            51  C8x C    35.5584  -29.8635
            52  C2c C    34.3346  -34.7351
            53  C8y C    35.5642  -28.4706
            54  C1a C    34.3288  -36.1280
            55  C1a C    35.5468  -34.0417
            56  O1a O    36.7762  -27.7772
BOND        61
            1    23  25 1
            2    24  26 1
            3    24  27 1
            4    25  28 2
            5    26  29 2
            6    29  30 1
            7    28  29 1
            8     5   9 2
            9     1  31 1 #Down
            10    6  10 1
            11    8  11 2
            12    8  12 1
            13   11  13 1
            14   11  14 1
            15   12  15 2
            16   13  16 2
            17   13  17 1
            18   16  18 1
            19   17  19 1
            20   19  20 2
            21   20  21 1
            22   20  22 1
            23    6   7 1
            24   15  16 1
            25    4  23 1 #Down
            26    1   2 1
            27    1   3 1
            28    2   4 1
            29    2   5 1 #Up
            30    3   6 2
            31    4   7 1
            32    5   8 1
            33   23  24 2
            34   32  31 1
            35   32  33 2
            36   32  34 1
            37   31  35 2
            38   33  36 1
            39   33  37 1
            40   34  38 1
            41   35  39 1
            42   35  40 1
            43   36  41 1
            44   36  42 2
            45   37  43 1
            46   38  44 1
            47   41  45 1
            48   44  46 1
            49   44  47 2
            50   45  48 1
            51   46  49 2
            52   46  50 1
            53   47  51 1
            54   48  52 2
            55   49  53 1
            56   52  54 1
            57   52  55 1
            58   53  56 1
            59   37  39 2
            60   38  41 2
            61   51  53 2

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