KEGG   COMPOUND: C22586
Entry
C22586                      Compound                               
Name
Phillygenin;
(+)-Phillygenin
Formula
C21H24O6
Exact mass
372.1573
Mol weight
372.4117
Structure
Brite
Dietary phytochemicals [br08012.html]
 Other phytochemicals
  C22586
Other DBs
CAS: 487-39-8
LinkDB
KCF data

ATOM        27
            1   C1y C    20.2009  -13.5644
            2   C1y C    21.6135  -13.5644
            3   C1y C    22.0500  -12.2209
            4   O2x O    20.9072  -11.3907
            5   C1x C    19.7644  -12.2209
            6   C1y C    19.7644  -14.9078
            7   O2x O    20.9072  -15.7381
            8   C1x C    22.0500  -14.9078
            9   C8y C    23.4231  -11.5096
            10  C8x C    24.6141  -12.1971
            11  C8y C    25.8121  -11.5053
            12  C8y C    25.8121  -10.1218
            13  C8x C    24.6211   -9.4342
            14  C8x C    23.4230  -10.1261
            15  O2a O    27.0156   -9.4267
            16  O2a O    27.0292  -12.2077
            17  C1a C    28.2134  -10.1179
            18  C1a C    28.2065  -11.5276
            19  C8y C    18.6121  -15.6709
            20  C8x C    17.4307  -14.9887
            21  C8y C    16.2325  -15.6803
            22  C8y C    16.2323  -17.0638
            23  C8x C    17.4138  -17.7461
            24  C8x C    18.6120  -17.0544
            25  O2a O    15.0158  -14.9778
            26  C1a C    13.8331  -15.6605
            27  O1a O    15.0239  -17.7615
BOND        30
            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 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   21  25 1
            28   25  26 1
            29   22  27 1
            30    6  19 1 #Down

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