KEGG   COMPOUND: C10252
Entry
C10252                      Compound                               
Name
Copalliferol B
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
    C10252  Copalliferol B
Other DBs
CAS: 104380-52-1
PubChem: 12438
ChEBI: 3872
KNApSAcK: C00002876
3DMET: B03677
NIKKAJI: J2.451.197I
LinkDB
KCF data

ATOM        51
            1   C1y C    24.6011  -17.0688
            2   C1y C    25.0165  -18.4085
            3   C2y C    25.3967  -15.9102
            4   C8y C    23.2027  -17.0571
            5   C1y C    23.8756  -19.2160
            6   C8y C    26.3330  -18.9293
            7   C2y C    26.8069  -15.7991
            8   C8y C    24.6948  -14.6991
            9   C8y C    22.7522  -18.3794
            10  C8x C    22.2842  -16.0039
            11  C8y C    23.8581  -20.6143
            12  C8y C    27.5499  -18.2331
            13  C8x C    26.3330  -20.3277
            14  C1y C    27.7664  -16.8346
            15  C8y C    27.3159  -14.4943
            16  C8x C    25.3967  -13.4880
            17  C8x C    23.2963  -14.6991
            18  C8y C    21.3831  -18.6485
            19  C8y C    20.9151  -16.2730
            20  C8x C    22.6353  -21.2990
            21  C8x C    25.0633  -21.3281
            22  C8y C    28.7611  -18.9293
            23  C8y C    27.5499  -21.0297
            24  C8y C    29.1004  -16.4252
            25  C8x C    28.6908  -14.2895
            26  C8x C    26.4324  -13.4060
            27  C8x C    24.7006  -12.2768
            28  C8x C    22.6002  -13.4880
            29  C8x C    20.4646  -17.5953
            30  O1a O    20.9268  -19.9707
            31  O1a O    19.9965  -15.2198
            32  C8x C    22.6176  -22.6973
            33  C8x C    25.0459  -22.7264
            34  C8x C    28.7611  -20.3277
            35  O1a O    29.9722  -18.2331
            36  O1a O    27.5499  -22.4282
            37  C8x C    30.1244  -17.3730
            38  C8x C    29.4106  -15.0561
            39  C8y C    29.1998  -12.9849
            40  C8y C    26.9415  -12.1014
            41  C8y C    23.2963  -12.2768
            42  C8y C    23.8230  -23.4111
            43  C8x C    31.4584  -16.9634
            44  C8x C    30.7446  -14.6465
            45  C8x C    28.3281  -11.8906
            46  O1a O    30.5807  -12.7741
            47  O1a O    26.0697  -11.0131
            48  O1a O    22.6002  -11.0657
            49  O1a O    23.8054  -24.8094
            50  C8y C    31.7743  -15.6001
            51  O1a O    33.1083  -15.1847
BOND        58
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1 #Down
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    8  16 2
            16    8  17 1
            17    9  18 1
            18   10  19 2
            19   11  20 2
            20   11  21 1
            21   12  22 1
            22   13  23 2
            23   14  24 1 #Down
            24   15  25 2
            25   15  26 1
            26   16  27 1
            27   17  28 2
            28   18  29 2
            29   18  30 1
            30   19  31 1
            31   20  32 1
            32   21  33 2
            33   22  34 2
            34   22  35 1
            35   23  36 1
            36   24  37 1
            37   24  38 2
            38   25  39 1
            39   26  40 2
            40   27  41 2
            41   32  42 2
            42   37  43 2
            43   38  44 1
            44   39  45 2
            45   39  46 1
            46   40  47 1
            47   41  48 1
            48   42  49 1
            49   43  50 1
            50   50  51 1
            51    5   9 1
            52   12  14 1
            53   19  29 1
            54   23  34 1
            55   28  41 1
            56   33  42 1
            57   40  45 1
            58   44  50 2

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