KEGG   DRUG: D00117Help
Entry
D00117                      Drug                                   
Name
Guaiacol (JAN);
Creodon (TN)
Formula
C7H8O2
Exact mass
124.0524
Mol weight
124.1372
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Therapeutic category: 
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  27  Dental preparations
   273  Analgesics and sedatives
    2730  Analgesics and sedatives
     D00117  Guaiacol (JAN)
BRITE hierarchy
Other DBs
CAS: 
90-05-1
PubChem: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        9
            1   C8y C    22.1741  -16.1500
            2   C8y C    20.9515  -15.4522
            3   C8x C    22.1741  -17.5582
            4   O2a O    23.3775  -15.4522
            5   C8x C    19.7481  -16.1500
            6   O1a O    20.9515  -14.2033
            7   C8x C    20.9515  -18.2687
            8   C1a C    24.5872  -16.1435
            9   C8x C    19.7481  -17.5582
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7   9 2

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