KEGG   COMPOUND: C10870
Entry
C10870                      Compound                               
Name
Phyllanthostatin A
Formula
C29H30O13
Exact mass
586.1686
Mol weight
586.5407
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignan glycosides
    C10870  Phyllanthostatin A
Other DBs
CAS: 119767-19-0
PubChem: 13053
ChEBI: 8178
KNApSAcK: C00002618
3DMET: B04175
NIKKAJI: J2.394.762E
LinkDB
KCF data

ATOM        42
            1   C1y C    29.6535  -22.5196
            2   C1y C    28.4482  -23.1871
            3   O2x O    28.4242  -24.5687
            4   C1y C    29.6020  -25.2768
            5   C1y C    30.8842  -24.6093
            6   C1y C    30.8415  -23.2338
            7   O7a O    26.5925  -21.7724
            8   O1a O    29.6797  -21.4206
            9   O1a O    32.0477  -22.5678
            10  O1a O    31.9935  -25.3217
            11  C1b C    29.5846  -26.6559
            12  O1a O    30.7649  -27.3666
            13  C8y C    19.4299  -20.3741
            14  C8y C    19.4299  -21.7535
            15  C8x C    20.6255  -22.4431
            16  C8x C    20.6255  -19.6845
            17  C8y C    21.8210  -20.3741
            18  C8y C    21.8151  -21.7535
            19  C8y C    23.0047  -22.4484
            20  C8y C    24.2003  -21.7638
            21  C8y C    24.2064  -20.3844
            22  C8x C    23.0167  -19.6897
            23  C8y C    22.9988  -23.8276
            24  C8x C    21.8075  -24.5086
            25  C8x C    21.8016  -25.8879
            26  C8x C    24.1929  -24.5189
            27  C8y C    24.1870  -25.8982
            28  C8y C    22.9859  -26.5821
            29  O2x O    23.2677  -27.9370
            30  C1x C    24.6425  -28.0920
            31  O2x O    25.2124  -26.8332
            32  O2a O    18.2376  -19.6838
            33  O2a O    18.2376  -22.4438
            34  C1a C    17.0445  -20.3729
            35  C1a C    17.0445  -21.7547
            36  C1b C    25.4090  -19.7000
            37  O7a O    26.5987  -20.3947
            38  C7a C    25.3972  -22.4587
            39  O6a O    25.3911  -23.8379
            40  C7a C    27.7944  -19.7103
            41  C1a C    28.9840  -20.4050
            42  O6a O    27.8003  -18.3309
BOND        46
            1    19  20 2
            2    20  21 1
            3    21  22 2
            4    22  17 1
            5     4  11 1 #Up
            6    19  23 1
            7     5   6 1
            8    11  12 1
            9     6   1 1
            10   23  24 1
            11   24  25 2
            12   25  28 1
            13   27  26 1
            14   26  23 2
            15    2   7 1 #Up
            16    1   2 1
            17   13  14 1
            18   14  15 2
            19   27  28 2
            20   28  29 1
            21   29  30 1
            22   30  31 1
            23   31  27 1
            24   15  18 1
            25   13  32 1
            26   17  16 1
            27   14  33 1
            28   16  13 2
            29   32  34 1
            30    1   8 1 #Down
            31   33  35 1
            32    2   3 1
            33   21  36 1
            34    6   9 1 #Up
            35   36  37 1
            36    3   4 1
            37   20  38 1
            38   38   7 1
            39    5  10 1 #Down
            40   38  39 2
            41    4   5 1
            42   37  40 1
            43   17  18 2
            44   40  41 1
            45   18  19 1
            46   40  42 2

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