KEGG   COMPOUND: C09834Help
Entry
C09834                      Compound                               

Name
Sanggenon C
Formula
C40H36O12
Exact mass
708.2207
Mol weight
708.7066
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Complex flavonoids
   Diels-Alder adduct of chalcone
    C09834  Sanggenon C
BRITE hierarchy
Other DBs
CAS: 80651-76-9
PubChem: 12022
ChEBI: 9020
ChEMBL: CHEMBL204813 CHEMBL525084
KNApSAcK: C00001000
3DMET: B05383
NIKKAJI: J47.924A
KCF data Show

ATOM        52
            1   C1y C    23.7264  -27.3109
            2   C1y C    23.7264  -28.6913
            3   C2x C    22.5323  -26.6236
            4   C1y C    22.5323  -29.3786
            5   C5a C    25.8292  -30.1359
            6   C2y C    21.3382  -27.3109
            7   C8y C    22.5556  -30.6426
            8   C1x C    21.3382  -28.6913
            9   C8y C    25.8292  -31.5105
            10  O5a O    27.0174  -29.5126
            11  C1a C    20.1441  -26.6236
            12  C8y C    21.3558  -31.3299
            13  C8x C    23.7497  -31.3299
            14  C8y C    27.0290  -32.1978
            15  C8x C    24.6351  -32.1978
            16  C8x C    21.3558  -32.7103
            17  O1a O    20.1674  -30.6426
            18  C8x C    23.7497  -32.7103
            19  C8x C    27.0290  -33.5725
            20  O1a O    28.2173  -31.4989
            21  C8x C    24.6351  -33.5782
            22  C8y C    22.5556  -33.3977
            23  C8y C    25.8349  -34.2655
            24  O1a O    22.5556  -34.7780
            25  O1a O    25.8409  -35.6459
            26  C8y C    24.9204  -26.6236
            27  C1z C    29.6967  -25.2547
            28  C1z C    29.6851  -26.6410
            29  C8y C    31.0190  -24.8295
            30  O2x O    28.5085  -24.5557
            31  C1b C    29.6617  -23.8567
            32  C5x C    28.4969  -27.3167
            33  O2x O    31.0014  -27.0721
            34  O1a O    29.6677  -28.1089
            35  C8y C    31.8227  -25.9596
            36  C8x C    31.5898  -23.5714
            37  C8y C    27.3086  -25.2430
            38  C2b C    30.8384  -23.1404
            39  C8y C    27.3028  -26.6236
            40  O5x O    28.4852  -28.6970
            41  C8x C    33.2032  -25.8255
            42  C8x C    32.9644  -23.4316
            43  C8x C    26.1145  -24.5500
            44  C2c C    30.8792  -21.7598
            45  C8y C    26.1145  -27.3109
            46  C8y C    33.7740  -24.5674
            47  C8y C    24.9204  -25.2430
            48  C1a C    32.0616  -21.0595
            49  C1a C    29.6677  -21.1115
            50  O1a O    26.1204  -28.6913
            51  O1a O    35.1487  -24.4334
            52  O1a O    23.7264  -24.5500
BOND        58
            1    21  23 2
            2     1  26 1 #Down
            3     1   2 1
            4     1   3 1
            5     2   4 1
            6     2   5 1 #Down
            7     3   6 2
            8     4   7 1 #Up
            9     4   8 1
            10    5   9 1
            11    5  10 2
            12    6  11 1
            13    7  12 2
            14    7  13 1
            15    9  14 1
            16    9  15 2
            17   12  16 1
            18   12  17 1
            19   13  18 2
            20   14  19 2
            21   14  20 1
            22   15  21 1
            23   16  22 2
            24   19  23 1
            25   22  24 1
            26   23  25 1
            27    6   8 1
            28   18  22 1
            29   27  28 1
            30   27  29 1
            31   27  30 1
            32   27  31 1 #Either
            33   28  32 1
            34   28  33 1
            35   28  34 1 #Either
            36   29  35 2
            37   29  36 1
            38   30  37 1
            39   31  38 1
            40   32  39 1
            41   32  40 2
            42   35  41 1
            43   36  42 2
            44   37  43 1
            45   38  44 2
            46   39  45 1
            47   41  46 2
            48   43  47 2
            49   44  48 1
            50   44  49 1
            51   45  26 2
            52   45  50 1
            53   46  51 1
            54   47  52 1
            55   33  35 1
            56   37  39 2
            57   42  46 1
            58   47  26 1

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