KEGG   COMPOUND: C06391Help
Entry
C06391                      Compound                               

Name
Algestone
Formula
C21H30O4
Exact mass
346.2144
Mol weight
346.4605
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
595-77-7
PubChem: 
ChEBI: 
LIPIDMAPS: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C1x C    17.5062  -16.3482
            2   C5x C    17.5062  -17.7061
            3   C2x C    18.6821  -18.3847
            4   C2y C    19.8578  -17.7061
            5   C1z C    19.8578  -16.3482
            6   C1x C    18.6821  -15.6692
            7   C1x C    21.0338  -18.3847
            8   C1x C    22.2095  -17.7061
            9   C1y C    22.2095  -16.3482
            10  C1y C    21.0338  -15.6692
            11  C1y C    23.3855  -15.6692
            12  C1z C    23.3855  -14.3117
            13  C1x C    22.2095  -13.6329
            14  C1x C    21.0338  -14.3117
            15  C1x C    25.7370  -15.6692
            16  C1y C    25.7370  -14.3117
            17  C1z C    24.5612  -13.6329
            18  C1a C    23.4124  -12.9540
            19  C1a C    19.8548  -14.9514
            20  O5x O    16.3056  -18.3994
            21  C5a C    24.5608  -12.2091
            22  O5a O    23.3643  -11.5188
            23  C1a C    25.7827  -11.5033
            24  O1a O    25.7647  -12.9072
            25  O1a O    27.1608  -14.3033
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22    5  19 1 #Up
            23    2  20 2
            24   17  21 1 #Up
            25   21  22 2
            26   21  23 1
            27   17  24 1 #Down
            28   16  25 1 #Down

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