KEGG   COMPOUND: C09908Help
Entry
C09908                      Compound                               

Name
Thymol
Formula
C10H14O
Exact mass
150.1045
Mol weight
150.2176
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010209 Menthane monoterpenoids
     C09908  Thymol
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Cyclic monoterpenes
    C09908  Thymol
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  73  Public health agents
   731  Antiseptics
    7319  Others
     D01039  Thymol (JP17/NF)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Thymol
    D01039  Thymol (JP17/NF)
Pharmaceutical additives [BR:br08316]
 Stabilizing agent
  D01039  [001411] Thymol
 Flavoring substance
  D01039  [001411] Thymol
 Refresher
  D01039  [001411] Thymol
 Antiseptic agent
  D01039  [001411] Thymol
 Preserving agent
  D01039  [001411] Thymol
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01039  Thymol
Major components of natural products [BR:br08323]
 Essential oils
  Thyme oil
   C09908  Thymol
 Medicinal herbs
  Thyme
   C09908  Thymol
Phytochemicals used as drugs [BR:br08306]
 Terpenoids
  Monoterpenoids (C10)
   D01039  Thymol (JP15/NF)
BRITE hierarchy
Other DBs
CAS: 
89-83-8
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        11
            1   C8y C    24.3488  -18.9804
            2   C8y C    25.5597  -18.2760
            3   C8x C    23.1320  -18.2760
            4   C1c C    24.3546  -20.3777
            5   C8x C    25.5597  -16.8728
            6   O1a O    26.7649  -18.9747
            7   C8x C    23.1320  -16.8728
            8   C1a C    23.1378  -21.0763
            9   C1a C    25.5656  -21.0704
            10  C8y C    24.3488  -16.1801
            11  C1a C    24.3546  -14.7771
BOND        11
            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     4   9 1
            9     5  10 1
            10   10  11 1
            11    7  10 2

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