KEGG   DRUG: D05402Help
Entry
D05402                      Drug                                   

Name
Pelretin (USAN/INN)
Formula
C23H28O2
Exact mass
336.2089
Mol weight
336.4672
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antikeratinizing agent
Other DBs
CAS: 
91587-01-8
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8x C    24.0100  -16.5200
            2   C8y C    24.0100  -15.1200
            3   C8x C    22.8200  -14.4200
            4   C8x C    21.6300  -15.1200
            5   C8y C    21.6300  -16.5200
            6   C8x C    22.8200  -17.2200
            7   C6a C    25.2700  -14.4200
            8   O6a O    26.4600  -15.1200
            9   O6a O    25.2700  -13.0200
            10  C2b C    20.3700  -17.2200
            11  C2b C    19.1800  -16.5200
            12  C2b C    17.9900  -17.2200
            13  C2c C    16.8000  -16.5200
            14  C2b C    15.5400  -17.2200
            15  C2b C    14.3500  -16.5200
            16  C1a C    16.8000  -15.1200
            17  C2y C    13.1600  -17.2200
            18  C1z C    11.9700  -16.5200
            19  C1x C    10.7800  -17.2200
            20  C1x C    10.7800  -18.6200
            21  C1x C    11.9700  -19.3200
            22  C2y C    13.1600  -18.6200
            23  C1a C    14.4200  -19.3200
            24  C1a C    12.9500  -15.5400
            25  C1a C    10.9900  -15.5400
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     7   9 2
            10    5  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   13  16 1
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   17  22 2
            24   22  23 1
            25   18  24 1
            26   18  25 1

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