KEGG   COMPOUND: C10249
Entry
C10249                      Compound                               
Name
Canaliculatol
Formula
C42H32O9
Exact mass
680.2046
Mol weight
680.6981
Structure
Brite
Phytochemical compounds [BR:br08003]
 Shikimate / acetate-malonate pathway derived compounds
  Stilbenoids
   Stilbenoid dimers, stilbenoid oligomers and bis(bibenzyl)s
    C10249  Canaliculatol
Other DBs
CAS: 114488-83-4
PubChem: 12435
ChEBI: 3344
KNApSAcK: C00002873
3DMET: B03674
NIKKAJI: J2.772.110I
LinkDB
KCF data

ATOM        51
            1   C1y C    28.2543  -16.2672
            2   C1y C    27.7312  -17.5633
            3   C8y C    27.7314  -15.0465
            4   C1y C    29.6493  -16.3660
            5   C1y C    26.4466  -18.1038
            6   C8y C    28.8007  -18.4526
            7   C8y C    26.4001  -14.4479
            8   C8x C    28.8124  -14.2502
            9   C8y C    29.9807  -17.7202
            10  C8y C    25.1622  -17.5865
            11  C8x C    28.7714  -19.8476
            12  C1y C    25.1156  -14.9942
            13  C8y C    26.3597  -13.0529
            14  C8y C    28.8420  -12.8552
            15  C8y C    31.2129  -18.3771
            16  C8y C    24.6100  -16.2962
            17  C8y C    24.3194  -18.7142
            18  C8y C    30.0737  -20.5102
            19  C1y C    24.1972  -13.9363
            20  O2x O    24.9238  -12.7390
            21  C8x C    27.5747  -12.2623
            22  O1a O    29.8411  -12.0648
            23  C8x C    31.2536  -19.7721
            24  O1a O    32.3987  -17.6506
            25  C8x C    23.2149  -16.1335
            26  C8x C    22.9243  -18.5456
            27  O1a O    24.3077  -20.1033
            28  O1a O    30.1143  -21.9111
            29  C8y C    22.3721  -17.2553
            30  O1a O    20.9830  -17.0984
            31  C8y C    22.8116  -13.8440
            32  C8x C    22.0175  -12.6333
            33  C8x C    22.1509  -15.0456
            34  C8x C    20.6226  -12.6154
            35  C8x C    20.6918  -15.0276
            36  C8y C    20.0239  -13.8767
            37  O1a O    18.6346  -13.8587
            38  C8y C    30.8479  -15.6541
            39  C8x C    32.0557  -16.3543
            40  C8x C    30.8525  -14.2561
            41  C8x C    33.2648  -15.6568
            42  C8x C    32.0616  -13.5643
            43  C8y C    33.2648  -14.2618
            44  O1a O    34.4794  -13.5702
            45  C8y C    26.4582  -19.5047
            46  C8x C    25.2493  -20.2139
            47  C8x C    27.6731  -20.1906
            48  C8x C    25.2609  -21.6087
            49  C8x C    27.6847  -21.5914
            50  C8y C    26.4758  -22.2946
            51  O1a O    26.4874  -23.6955
BOND        59
            1    14  22 1
            2    15  23 2
            3    15  24 1
            4    16  25 1
            5    17  26 2
            6    17  27 1
            7    18  28 1
            8    25  29 2
            9    29  30 1
            10    6   9 2
            11   12  16 1
            12   14  21 1
            13   18  23 1
            14   19  20 1
            15   26  29 1
            16   19  31 1 #Down
            17    1   2 1
            18    1   3 1
            19    1   4 1
            20    2   5 1
            21    2   6 1
            22    3   7 2
            23   31  32 2
            24   31  33 1
            25   32  34 1
            26   33  35 2
            27   34  36 2
            28   36  37 1
            29   35  36 1
            30    3   8 1
            31    4  38 1 #Down
            32    4   9 1
            33    5  10 1
            34    6  11 1
            35    7  12 1
            36    7  13 1
            37    8  14 2
            38   38  39 1
            39   38  40 2
            40   39  41 2
            41   40  42 1
            42   41  43 1
            43   43  44 1
            44   42  43 2
            45    9  15 1
            46    5  45 1 #Down
            47   10  16 2
            48   10  17 1
            49   11  18 2
            50   12  19 1
            51   13  20 1
            52   13  21 2
            53   45  46 1
            54   45  47 2
            55   46  48 2
            56   47  49 1
            57   48  50 1
            58   50  51 1
            59   49  50 2

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