KEGG   DRUG: Peretinoin
Entry
D06406                      Drug                                   

Name
Peretinoin (JAN)
Formula
C20H30O2
Exact mass
302.2246
Mol weight
302.451
Structure
Class
Other
 DG01604  Retinol derivative
Efficacy
Antineoplastic
Interaction
Other DBs
CAS: 81485-25-8
PubChem: 47208063
ChEMBL: CHEMBL4303228
LigandBox: D06406
LinkDB
KCF data

ATOM        22
            1   C1a C    17.2936  -34.3893
            2   C2c C    18.5079  -33.6881
            3   C2b C    19.7225  -34.3893
            4   C1b C    20.9369  -33.6881
            5   C1b C    22.1514  -34.3893
            6   C2c C    23.3660  -33.6881
            7   C2b C    24.5804  -34.3893
            8   C1b C    25.7949  -33.6881
            9   C1b C    27.0094  -34.3893
            10  C2c C    28.2239  -33.6881
            11  C2b C    29.4383  -34.3893
            12  C2b C    30.6528  -33.6881
            13  C2b C    31.8672  -34.3893
            14  C2c C    33.0818  -33.6881
            15  C2b C    34.2963  -34.3893
            16  C1a C    18.5079  -32.2859
            17  C1a C    23.3660  -32.2860
            18  C1a C    28.2239  -32.2857
            19  C1a C    33.0818  -32.2857
            20  C6a C    35.4849  -33.7026
            21  O6a O    36.6702  -34.3866
            22  O6a O    35.4849  -32.2860
BOND        21
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15    2  16 1
            16    6  17 1
            17   10  18 1
            18   14  19 1
            19   15  20 1
            20   20  21 1
            21   20  22 2

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