KEGG   COMPOUND: C10099Help
Entry
C10099                      Compound                               

Name
Kuwanone G
Formula
C40H36O11
Exact mass
692.2258
Mol weight
692.7072
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Complex flavonoids
   Diels-Alder adduct of chalcone
    C10099  Kuwanone G
BRITE hierarchy
Other DBs
CAS: 75629-19-5
PubChem: 12285
ChEBI: 6146
ChEMBL: CHEMBL444942
KNApSAcK: C00001063
3DMET: B03538
NIKKAJI: J47.923C
LinkDB All DBs
KCF data Show

ATOM        51
            1   C1y C    22.4606  -15.3393
            2   C1y C    21.2548  -14.6461
            3   C2x C    23.6725  -14.6461
            4   C1y C    21.2605  -13.2478
            5   C5a C    19.7749  -14.6228
            6   C2y C    23.6725  -13.2536
            7   C1x C    22.4665  -12.5545
            8   C8y C    19.0584  -13.3294
            9   O5a O    19.0118  -15.8928
            10  C1a C    24.8784  -12.5604
            11  C8y C    17.6659  -13.3119
            12  C8x C    19.7749  -12.1351
            13  C8x C    16.9844  -12.0885
            14  O1a O    16.9494  -14.5062
            15  C8x C    19.0991  -10.9175
            16  C8y C    17.7068  -10.8942
            17  O1a O    17.0310   -9.6766
            18  C8y C    21.2523  -11.7308
            19  C8y C    22.4606  -11.0398
            20  C8x C    20.0429  -11.0398
            21  C8x C    22.4606   -9.6475
            22  O1a O    23.6666  -11.7330
            23  C8x C    20.0429   -9.6475
            24  C8y C    21.2548   -8.9484
            25  O1a O    21.2548   -7.5691
            26  C8y C    22.4591  -16.7331
            27  C8y C    23.6608  -17.4309
            28  C8y C    23.6549  -18.8290
            29  O2x O    24.8725  -16.7434
            30  C8y C    21.2489  -17.4309
            31  C8y C    24.8609  -19.5281
            32  C8y C    22.4606  -19.5223
            33  C8y C    26.0785  -17.4424
            34  C8x C    21.2489  -18.8290
            35  O1a O    20.0429  -16.7375
            36  C8y C    26.1428  -18.8349
            37  O5x O    24.8551  -20.9206
            38  O1a O    22.4606  -20.9147
            39  C8y C    27.2845  -16.7492
            40  C1b C    27.2728  -19.5397
            41  C8y C    27.2904  -15.3626
            42  C8x C    28.4904  -17.4540
            43  C2b C    27.2671  -20.9322
            44  C8x C    28.5021  -14.6694
            45  O1a O    26.0844  -14.6577
            46  C8x C    29.6964  -16.7666
            47  C2c C    28.4730  -21.6371
            48  C8y C    29.7023  -15.3685
            49  C1a C    28.4671  -23.0294
            50  C1a C    29.6847  -20.9439
            51  O1a O    30.9140  -14.6811
BOND        56
            1    24  25 1
            2    23  24 1
            3     5   9 2
            4     1  26 1 #Down
            5     6  10 1
            6     8  11 2
            7     8  12 1
            8    11  13 1
            9    11  14 1
            10   12  15 2
            11   13  16 2
            12   16  17 1
            13    6   7 1
            14   15  16 1
            15    4  18 1 #Down
            16    1   2 1
            17    1   3 1
            18    2   4 1
            19    2   5 1 #Up
            20    3   6 2
            21    4   7 1
            22    5   8 1
            23   18  19 2
            24   18  20 1
            25   19  21 1
            26   19  22 1
            27   20  23 2
            28   21  24 2
            29   27  26 1
            30   27  28 2
            31   27  29 1
            32   26  30 2
            33   28  31 1
            34   28  32 1
            35   29  33 1
            36   30  34 1
            37   30  35 1
            38   31  36 1
            39   31  37 2
            40   32  38 1
            41   33  39 1
            42   36  40 1
            43   39  41 1
            44   39  42 2
            45   40  43 1
            46   41  44 2
            47   41  45 1
            48   42  46 1
            49   43  47 2
            50   44  48 1
            51   47  49 1
            52   47  50 1
            53   48  51 1
            54   32  34 2
            55   33  36 2
            56   46  48 2

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