KEGG   COMPOUND: C10225
Entry
C10225                      Compound                               

Name
ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol
Formula
C45H38O16
Exact mass
834.216
Mol weight
834.7736
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1203 Proanthocyanidins
    C10225  ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol
Phytochemical compounds [BR:br08003]
 Flavonoids
  Complex flavonoids
   Proanthocyanidins
    C10225  ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol
Other DBs
CAS: 88269-47-0
PubChem: 12411
ChEBI: 10550
LIPIDMAPS: LMPK12030009
KNApSAcK: C00002921
3DMET: B03652
NIKKAJI: J2.772.009I
KCF data

ATOM        61
            1   C1y C    23.5327  -18.9102
            2   C8y C    23.5327  -20.3148
            3   C1y C    22.3263  -18.2110
            4   C8y C    22.3206  -21.0083
            5   C8x C    24.7451  -21.0199
            6   C1y C    21.1083  -18.9102
            7   O1a O    22.3263  -16.9522
            8   O2x O    21.1083  -20.3148
            9   C8x C    22.3147  -22.4070
            10  C8x C    24.8091  -22.4187
            11  C8y C    23.5270  -23.1064
            12  O1a O    23.5211  -24.5109
            13  C8y C    19.8902  -18.2110
            14  C8x C    19.8961  -16.8180
            15  C8x C    18.6840  -18.9161
            16  C8y C    18.6840  -16.1129
            17  C8x C    17.4659  -18.2167
            18  C8y C    17.4659  -16.8180
            19  O1a O    18.6840  -14.7141
            20  O1a O    16.2536  -16.1129
            21  C8y C    24.7508  -18.2167
            22  C1y C    25.9572  -14.7199
            23  C8y C    24.7508  -14.0205
            24  C1y C    27.1753  -14.0205
            25  C8y C    24.7567  -12.6219
            26  C8x C    23.5387  -14.7082
            27  C1y C    27.1753  -12.6219
            28  O1a O    28.3874  -14.7199
            29  O2x O    25.9572  -11.9166
            30  C8x C    23.5503  -11.9166
            31  C8x C    22.3263  -14.0088
            32  C8y C    22.3323  -12.6103
            33  O1a O    21.1199  -11.9050
            34  C8y C    28.3817  -11.9166
            35  C8x C    29.5997  -12.6219
            36  C8x C    28.3817  -10.5122
            37  C8y C    30.8119  -11.9166
            38  C8x C    29.5997   -9.8185
            39  C8y C    30.8119  -10.5122
            40  O1a O    32.0242  -12.6219
            41  O1a O    32.0300   -9.8185
            42  C8y C    25.9543  -16.1142
            43  C8y C    27.1694  -16.8180
            44  C8y C    24.7508  -16.8122
            45  C8y C    27.1636  -18.2110
            46  O2x O    28.3874  -16.1245
            47  O1a O    23.5327  -15.9029
            48  C8y C    25.9572  -18.9161
            49  C1x C    28.3700  -18.9161
            50  C1y C    29.5938  -16.8296
            51  O1a O    25.9572  -20.3148
            52  C1y C    29.5822  -18.2284
            53  O1a O    30.7945  -18.9335
            54  C8y C    30.8062  -16.1407
            55  C8x C    32.0126  -16.8472
            56  C8x C    30.8119  -14.7374
            57  C8y C    33.2306  -16.1536
            58  C8x C    32.0300  -14.0438
            59  C8y C    33.2421  -14.7491
            60  O1a O    34.4428  -16.8646
            61  O1a O    34.4602  -14.0614
BOND        69
            1    24  27 1
            2    24  28 1 #Down
            3    25  29 1
            4    25  30 1
            5    26  31 2
            6    30  32 2
            7    32  33 1
            8    27  29 1
            9    31  32 1
            10    3   7 1 #Down
            11   27  34 1 #Up
            12    4   8 1
            13   13  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   16  19 1
            19   34  35 2
            20   34  36 1
            21   35  37 1
            22   36  38 2
            23   37  39 2
            24   37  40 1
            25   39  41 1
            26   38  39 1
            27   18  20 1
            28   22  42 1 #Up
            29   17  18 1
            30    4   9 1
            31    1  21 1 #Up
            32    5  10 2
            33    9  11 2
            34   11  12 1
            35    6   8 1
            36   10  11 1
            37    6  13 1 #Down
            38    1   2 1
            39   42  43 1
            40   42  44 2
            41   43  45 2
            42   43  46 1
            43   44  21 1
            44   44  47 1
            45   45  48 1
            46   45  49 1
            47   46  50 1
            48   48  51 1
            49   49  52 1
            50   52  53 1 #Up
            51   21  48 2
            52   50  52 1
            53    1   3 1
            54   50  54 1 #Down
            55    2   4 2
            56    2   5 1
            57    3   6 1
            58   22  23 1
            59   22  24 1
            60   23  25 2
            61   23  26 1
            62   54  55 2
            63   54  56 1
            64   55  57 1
            65   56  58 2
            66   57  59 2
            67   57  60 1
            68   59  61 1
            69   58  59 1

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