KEGG   COMPOUND: C02183Help
Entry
C02183                      Compound                               

Name
Phloroglucinol;
1,3,5-Benzenetriol;
1,3,5-Trihydroxybenzene
Formula
C6H6O3
Exact mass
126.0317
Mol weight
126.11
Structure
Mol fileKCF fileDB search
Remark
Same as: D00152
Reaction
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.3.1.57        1.97.1.2        2.3.1.253       2.3.1.272       
3.7.1.4
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AX Other drugs for functional gastrointestinal disorders
     A03AX12 Phloroglucinol
      D00152  Phloroglucinol (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Methyltransferases
    COMT
     D00152  Phloroglucinol (JAN)
BRITE hierarchy
Other DBs
CAS: 108-73-6
PubChem: 5254
ChEBI: 16204
ChEMBL: CHEMBL473159
KNApSAcK: C00002665
PDB-CCD: 13X[PDBj]
3DMET: B00398
NIKKAJI: J2.866E
LinkDB All DBs
KCF data Show

ATOM        9
            1   C8y C    17.2005  -16.1739
            2   C8x C    17.2005  -14.7661
            3   C8x C    18.4037  -16.8844
            4   O1a O    15.9908  -16.8651
            5   C8y C    18.4037  -14.0684
            6   C8y C    19.6260  -16.1739
            7   C8x C    19.6260  -14.7661
            8   O1a O    18.4037  -12.6796
            9   O1a O    20.8355  -16.8651
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     5   7 1
            7     5   8 1
            8     6   9 1
            9     6   7 2

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