KEGG   COMPOUND: C17048
Entry
C17048                      Compound                               
Name
Forsythin;
Phillyrin;
Phillygenin-O-glucoside
Formula
C27H34O11
Exact mass
534.2101
Mol weight
534.55
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignan glycosides
    C17048  Forsythin
Dietary phytochemicals [br08012.html]
 Other phytochemicals
  C17048
Other DBs
CAS: 487-41-2
PubChem: 96023526
ChEBI: 80888
KNApSAcK: C00000648
NIKKAJI: J324.135A
LinkDB
KCF data

ATOM        38
            1   C1y C    20.1600  -13.8600
            2   C1y C    21.5600  -13.8600
            3   C1y C    21.9926  -12.5285
            4   O2x O    20.8600  -11.7056
            5   C1x C    19.7274  -12.5285
            6   C1y C    19.7274  -15.1915
            7   O2x O    20.8600  -16.0144
            8   C1x C    21.9926  -15.1915
            9   C8y C    23.3535  -11.8235
            10  C8x C    24.5339  -12.5049
            11  C8y C    25.7213  -11.8192
            12  C8y C    25.7213  -10.4480
            13  C8x C    24.5409   -9.7666
            14  C8x C    23.3534  -10.4523
            15  O2a O    26.9141   -9.7591
            16  O2a O    26.9275  -12.5154
            17  C1a C    28.1012  -10.4442
            18  C1a C    28.0944  -11.8413
            19  C1y C    11.5456  -19.2387
            20  C1y C    11.5456  -20.6099
            21  C1y C    12.7331  -21.2955
            22  C1y C    13.9206  -20.6099
            23  C1y C    13.9206  -19.2387
            24  O2x O    12.7331  -18.5531
            25  C8y C    18.5853  -15.9478
            26  C8x C    17.4144  -15.2716
            27  C8y C    16.2269  -15.9571
            28  C8y C    16.2267  -17.3283
            29  C8x C    17.3977  -18.0045
            30  C8x C    18.5852  -17.3190
            31  O2a O    15.0210  -15.2608
            32  C1a C    13.8488  -15.9375
            33  O2a O    15.0290  -18.0198
            34  C1b C    10.3582  -18.5531
            35  O1a O    12.7331  -22.6665
            36  O1a O    15.1264  -21.3062
            37  O1a O    10.3582  -21.2955
            38  O1a O     9.1873  -19.2293
BOND        42
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   8 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   12  15 1
            17   11  16 1
            18   15  17 1
            19   16  18 1
            20    3   9 1 #Up
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   19  24 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   25  30 1
            33   27  31 1
            34   31  32 1
            35   28  33 1
            36   23  33 1 #Up
            37   19  34 1 #Up
            38   21  35 1 #Up
            39   22  36 1 #Down
            40   20  37 1 #Down
            41   34  38 1
            42    6  25 1 #Down

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