KEGG   COMPOUND: C10729
Entry
C10729                      Compound                               
Name
alpha-Peltatin
Formula
C21H20O8
Exact mass
400.1158
Mol weight
400.3787
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10729  alpha-Peltatin
Other DBs
CAS: 568-53-6
PubChem: 12912
ChEBI: 10324
KNApSAcK: C00002615
3DMET: B04098
NIKKAJI: J13.797I
LinkDB
KCF data

ATOM        29
            1   C8x C    23.1973  -22.4480
            2   C8y C    23.1973  -19.6402
            3   C8y C    24.4097  -20.3457
            4   C8y C    24.4038  -21.7496
            5   C1y C    25.6176  -22.4531
            6   C1x C    25.6294  -19.6455
            7   C1y C    26.8432  -20.3560
            8   C1y C    26.8405  -21.7640
            9   C7x C    28.1792  -22.1995
            10  O7x O    29.0046  -21.0605
            11  C1x C    28.1835  -19.9257
            12  C8y C    21.9776  -21.7496
            13  C8y C    21.9842  -20.3503
            14  O2x O    20.6549  -19.9138
            15  C1x C    19.8314  -21.0365
            16  O2x O    20.6445  -22.1736
            17  C8y C    25.6089  -23.8569
            18  C8x C    24.3899  -24.5471
            19  C8y C    24.3813  -25.9509
            20  C8y C    25.5937  -26.6567
            21  C8y C    26.8148  -25.9658
            22  C8x C    26.8234  -24.5620
            23  O2a O    28.0201  -26.6716
            24  O1a O    25.5851  -28.0606
            25  O2a O    23.1602  -26.6418
            26  C1a C    29.2410  -25.9808
            27  C1a C    21.9480  -25.9360
            28  O1a O    23.1954  -18.2365
            29  O6a O    28.6084  -23.5358
BOND        33
            1    13  14 1
            2    14  15 1
            3    15  16 1
            4    16  12 1
            5     2  13 2
            6     5  17 1 #Down
            7    12   1 2
            8     1   4 1
            9     3   2 1
            10    7   8 1
            11   17  18 2
            12   18  19 1
            13   19  20 2
            14   20  21 1
            15   21  22 2
            16   22  17 1
            17    8   9 1
            18   21  23 1
            19    9  10 1
            20   20  24 1
            21   10  11 1
            22   19  25 1
            23   11   7 1
            24   23  26 1
            25    3   4 2
            26   25  27 1
            27    4   5 1
            28    2  28 1
            29    5   8 1
            30    9  29 2
            31    7   6 1
            32    6   3 1
            33   12  13 1

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