KEGG   DRUG: D00441Help
Entry
D00441                      Drug                                   

Name
Octabenzone (USAN)
Formula
C21H26O3
Exact mass
326.1882
Mol weight
326.4293
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Ultraviolet screen
Other DBs
CAS: 
1843-05-6
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8x C     7.6023  -14.8328
            2   C8x C     7.6023  -13.4334
            3   C8x C     8.8150  -12.7337
            4   C8y C    10.0278  -13.4334
            5   C8x C    10.0278  -14.8328
            6   C8x C     8.8150  -15.5325
            7   C5a C    11.2407  -12.7337
            8   C8y C    12.4534  -13.4334
            9   O5a O    11.2407  -11.3344
            10  C8x C    13.6662  -12.7337
            11  C8x C    14.8791  -13.4334
            12  C8y C    14.8791  -14.8328
            13  C8x C    13.6662  -15.5325
            14  C8y C    12.4534  -14.8328
            15  O1a O    11.2407  -15.5325
            16  O2a O    16.0918  -15.5325
            17  C1b C    17.3046  -14.8328
            18  C1b C    18.5174  -15.5325
            19  C1b C    19.7302  -14.8328
            20  C1b C    20.9430  -15.5325
            21  C1b C    22.1558  -14.8328
            22  C1b C    23.3686  -15.5325
            23  C1b C    24.5814  -14.8328
            24  C1a C    25.7942  -15.5325
BOND        25
            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     4   7 1
            8     7   8 1
            9     7   9 2
            10    8  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    8  14 2
            16   14  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1

» Japanese version   » Back

DBGET integrated database retrieval system