KEGG   COMPOUND: C16808
Entry
C16808                      Compound                               
Name
Isosilybin
Formula
C25H22O10
Exact mass
482.1213
Mol weight
482.4362
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C16808  Isosilybin
Other DBs
CAS: 72581-71-6
PubChem: 96023332
ChEBI: 80744
KNApSAcK: C00008662
NIKKAJI: J458.501A
LinkDB
KCF data

ATOM        35
            1   C1y C    21.1400  -17.5700
            2   O2x O    19.8800  -16.8700
            3   C1y C    21.1400  -18.9700
            4   C8y C    18.6900  -17.5700
            5   C5x C    19.8800  -19.6700
            6   O1a O    22.3300  -19.6700
            7   C8y C    18.6900  -18.9700
            8   C8x C    17.5000  -16.8700
            9   O5x O    19.8800  -21.0700
            10  C8y C    17.5000  -19.6700
            11  C8y C    16.3100  -17.5700
            12  C8x C    16.3100  -18.9700
            13  O1a O    17.5000  -21.0000
            14  O1a O    15.0500  -16.8700
            15  C8y C    22.3300  -16.8700
            16  C8y C    24.7100  -16.8700
            17  C8y C    24.7100  -15.4700
            18  C8x C    23.5200  -17.5700
            19  C8x C    23.5200  -14.7700
            20  C8x C    22.3300  -15.4700
            21  O2x O    25.9000  -17.5700
            22  C1y C    27.1600  -16.8700
            23  C1y C    27.1600  -15.4700
            24  O2x O    25.9000  -14.7700
            25  C8y C    28.3666  -14.7600
            26  C1b C    28.3666  -17.5800
            27  O1a O    29.5763  -16.8947
            28  C8x C    29.5763  -15.4453
            29  C8y C    30.7830  -14.7355
            30  C8y C    30.7716  -13.3355
            31  C8x C    29.5619  -12.6502
            32  C8x C    28.3552  -13.3601
            33  O1a O    31.9836  -12.6223
            34  O2a O    32.0289  -15.4407
            35  C1a C    33.2449  -14.7244
BOND        39
            1    10  13 1
            2    11  14 1
            3     5   7 1
            4    11  12 1
            5     1  15 1 #Down
            6     1   2 1
            7     1   3 1
            8     2   4 1
            9    16  17 2
            10   16  18 1
            11   17  19 1
            12   18  15 2
            13   19  20 2
            14   15  20 1
            15    3   5 1
            16    3   6 1 #Up
            17    4   7 2
            18    4   8 1
            19    5   9 2
            20    7  10 1
            21    8  11 2
            22   10  12 2
            23   16  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   17  24 1
            28   23  25 1
            29   22  26 1
            30   26  27 1
            31   25  28 2
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   25  32 1
            37   30  33 1
            38   29  34 1
            39   34  35 1

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