KEGG   COMPOUND: C10638
Entry
C10638                      Compound                               
Name
Kadsurenone
Formula
C21H24O5
Exact mass
356.1624
Mol weight
356.4123
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Neolignans
    C10638  Kadsurenone
Other DBs
CAS: 95851-37-9
PubChem: 12821
ChEBI: 6097
KNApSAcK: C00000719
3DMET: B04018
NIKKAJI: J39.403C
LinkDB
KCF data

ATOM        26
            1   C2y C    24.7184  -16.0707
            2   C5x C    24.7184  -17.4689
            3   C2x C    25.9253  -18.1680
            4   C2x C    25.9253  -15.3715
            5   C1z C    27.1318  -16.0707
            6   C2y C    27.1258  -17.4723
            7   O2x O    28.4572  -17.9111
            8   C1y C    29.2857  -16.7805
            9   C1y C    28.4666  -15.6431
            10  C8y C    30.6837  -16.7863
            11  C8x C    31.3712  -18.0007
            12  C8y C    32.7696  -18.0065
            13  C8y C    33.4738  -16.7985
            14  C8x C    32.7796  -15.5847
            15  C8x C    31.3814  -15.5789
            16  C1b C    23.5009  -15.3710
            17  C2b C    22.2896  -16.0694
            18  C2a C    21.0792  -15.3696
            19  O5x O    23.5009  -18.1687
            20  O2a O    27.1155  -14.7222
            21  O2a O    34.8718  -16.8044
            22  O2a O    33.4636  -19.2201
            23  C1a C    34.8618  -19.2261
            24  C1a C    35.5658  -18.0182
            25  C1a C    29.5966  -14.6619
            26  C1a C    25.8964  -14.0378
BOND        28
            1    11  12 1
            2    12  13 2
            3    13  14 1
            4    14  15 2
            5    15  10 1
            6     5   6 1
            7     1  16 1
            8     6   7 1
            9    16  17 1
            10    7   8 1
            11   17  18 2
            12    8   9 1
            13    2  19 2
            14    9   5 1
            15    5  20 1 #Up
            16    4   1 2
            17    8  10 1 #Up
            18   13  21 1
            19   12  22 1
            20    1   2 1
            21   22  23 1
            22    2   3 1
            23   21  24 1
            24    3   6 2
            25    5   4 1
            26    9  25 1 #Down
            27   10  11 2
            28   20  26 1

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