KEGG   COMPOUND: C21501
Entry
C21501                      Compound                               

Name
2-Acyl-4,6,6-trisprenylcyclohexa-2,4-dien-1-one;
beta-Bitter acid
Formula
C22H29O4R
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 333497484
KCF data

ATOM        27
            1   C2y C    25.8734  -13.7051
            2   C2y C    25.8734  -15.0969
            3   C2y C    27.0565  -15.7928
            4   C2y C    28.3091  -15.0969
            5   C5x C    28.3091  -13.7051
            6   C1z C    27.0565  -13.0093
            7   O1a O    24.6904  -13.0093
            8   O5x O    29.5616  -13.0093
            9   O1a O    27.0565  -17.1846
            10  C5a C    29.5616  -15.7928
            11  R   R    30.7446  -15.0969
            12  O5a O    29.5616  -17.1846
            13  C1b C    24.6795  -15.8107
            14  C2b C    23.4678  -15.1112
            15  C2c C    22.2562  -15.8107
            16  C1a C    21.0446  -15.1112
            17  C1a C    22.2562  -17.2097
            18  C1b C    26.3846  -11.8107
            19  C2b C    24.9846  -11.8169
            20  C2c C    24.2792  -10.6076
            21  C1a C    22.8792  -10.6139
            22  C1b C    27.7859  -11.8052
            23  C2b C    29.1859  -11.8005
            24  C2c C    29.8819  -10.5858
            25  C1a C    31.2819  -10.5811
            26  C1a C    29.1730   -9.3676
            27  C1a C    24.9628   -9.4122
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     5   8 2
            9     3   9 1
            10    4  10 1
            11   10  11 1
            12   10  12 2
            13    2  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   15  17 1
            18    6  18 1
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22    6  22 1
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   24  26 1
            27   20  27 1

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