KEGG   COMPOUND: C15474Help
Entry
C15474                      Compound                               

Name
Tropolone
Formula
C7H6O2
Exact mass
122.0368
Mol weight
122.1213
Structure
Mol fileKCF fileDB search
Pathway
map07216  Catecholamine transferase inhibitors
Brite
Target-based classification of compounds [BR:br08010]
 Enzymes
  Transferases
   catechol O-methyltransferase
    C15474  Tropolone
BRITE hierarchy
Other DBs
CAS: 533-75-5
PubChem: 17396468
ChEBI: 79966
ChEMBL: CHEMBL121188
PDB-CCD: 0TR[PDBj]
NIKKAJI: J44.110D
LinkDB All DBs
KCF data Show

ATOM        9
            1   C2x C    35.2742  -18.7137
            2   C5x C    36.5405  -18.1262
            3   C2y C    37.7974  -18.7442
            4   C2x C    38.0940  -20.1023
            5   C2x C    34.9493  -20.0847
            6   C2x C    37.2169  -21.1968
            7   C2x C    35.8156  -21.1850
            8   O5x O    36.5563  -16.7301
            9   O1a O    38.8935  -17.8858
BOND        9
            1     3   4 2
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     2   8 2
            9     3   9 1

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