KEGG   COMPOUND: C12305Help
Entry
C12305                      Compound                               

Name
Methyl salicylate;
Methyl 2-hydroxybenzoate
Formula
C8H8O3
Exact mass
152.0473
Mol weight
152.1473
Structure
Mol fileKCF fileDB search
Remark
Same as: D01087
Reaction
Pathway
map01061  Biosynthesis of phenylpropanoids
Enzyme
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   264  Analgesics, anti-itchings, astringents, anti-inflammatory agents
    2641  Methyl salicylic acids
     D01087  Methyl salicylate (JP17/NF)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for respiratory organs
  27 Gargles
   D01087  Methyl salicylate (JP17/NF)
 Agents for integumentary system
  57 Analgesic, antipruritic, astringent, and anti-inflammatory remedies (incl. gel patches)
   D01087  Methyl salicylate (JP17/NF)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Methyl salicylate
    D01087  Methyl salicylate (JP17/NF)
Pharmaceutical additives in Japan [BR:br08316]
 Flavoring substance
  D01087  [002165] Methyl salicylate
 Algefacient
  D01087  [002165] Methyl salicylate
 Favoring agent, Fragrance
  D01087  [002165] Methyl salicylate
 Refresher
  D01087  [002165] Methyl salicylate
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01087  Methyl salicylate
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  953  Analgesics, anti-itchings, astringents and antiinflammatory agents
   9531  Methyl salicylate and preparations
    C12305  Methyl salicylate
Major components of natural products [BR:br08323]
 Essential oils
  Wintergreen oil
   C12305  Methyl salicylate
BRITE hierarchy
Other DBs
CAS: 119-36-8
PubChem: 582696
ChEBI: 31832
ChEMBL: CHEMBL108545
KNApSAcK: C00030767
NIKKAJI: J2.915G
LinkDB All DBs
KCF data Show

ATOM        11
            1   C8x C    23.8644  -20.8025
            2   C8x C    25.0757  -21.5020
            3   C8x C    26.2815  -20.8055
            4   C8y C    26.2831  -19.4098
            5   C8y C    25.0791  -18.7104
            6   C8x C    23.8662  -19.4069
            7   C7a C    25.0809  -17.3119
            8   O7a O    26.2891  -16.6067
            9   O6a O    23.8670  -16.6038
            10  O1a O    27.5086  -18.7053
            11  C1a C    27.5135  -17.3061
BOND        11
            1     5   6 2
            2     6   1 1
            3     5   7 1
            4     1   2 2
            5     7   8 1
            6     2   3 1
            7     7   9 2
            8     3   4 2
            9     4   5 1
            10    4  10 1
            11    8  11 1

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