KEGG   COMPOUND: C20511
Entry
C20511                      Compound                               
Name
Glycyrrhetaldehyde
Formula
C30H46O3
Exact mass
454.3447
Mol weight
454.6844
Structure
Reaction
Enzyme
Other DBs
PubChem: 172232260
LinkDB
KCF data

ATOM        33
            1   C1z C    18.7752  -17.4486
            2   C1z C    20.0539  -16.7568
            3   C1y C    17.5717  -16.7393
            4   C1x C    18.7752  -18.8437
            5   C1a C    18.2057  -16.0477
            6   C2y C    20.0017  -15.3674
            7   C1x C    21.1817  -17.4660
            8   C1a C    19.9725  -18.1462
            9   C1z C    16.3685  -17.4369
            10  C5x C    17.5834  -15.3442
            11  C1x C    17.5601  -19.5355
            12  C1y C    21.2166  -14.6874
            13  C2x C    18.7984  -14.6642
            14  C1x C    22.3964  -16.7858
            15  C1y C    16.3626  -18.8320
            16  C1x C    15.1593  -16.7335
            17  C1a C    16.3510  -16.0360
            18  C1z C    22.4081  -15.3967
            19  C1x C    21.2341  -13.2981
            20  C1z C    15.1593  -19.5296
            21  C1x C    13.9445  -17.4369
            22  C1x C    23.6930  -14.7223
            23  C1a C    23.6115  -16.0942
            24  C1z C    22.4489  -12.6179
            25  C1y C    13.9445  -18.8320
            26  C1a C    15.6475  -21.0176
            27  C1a C    14.4444  -20.7387
            28  C1x C    23.6407  -13.3329
            29  C1a C    21.7338  -11.4030
            30  C4a C    23.1290  -11.4030
            31  O1a O    12.7296  -19.5239
            32  O5x O    16.3600  -14.6203
            33  O4a O    24.5090  -11.3848
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    9  15 1
            15    9  16 1
            16    9  17 1 #Up
            17   12  18 1
            18   12  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   18  23 1 #Up
            23   19  24 1
            24   20  25 1
            25   20  26 1
            26   20  27 1
            27   22  28 1
            28   24  29 1
            29   24  30 1 #Up
            30   25  31 1 #Up
            31   10  13 1
            32   11  15 1
            33   14  18 1
            34   21  25 1
            35   24  28 1
            36   10  32 2
            37   30  33 2

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