KEGG   COMPOUND: C15475Help
Entry
C15475                      Compound                               

Name
U 0521
Formula
C10H12O3
Exact mass
180.0786
Mol weight
180.2005
Structure
Mol fileKCF fileDB search
Pathway
map07216  Catecholamine transferase inhibitors
Brite
Target-based classification of compounds [BR:br08010]
 Enzymes
  Transferases
   catechol O-methyltransferase
    C15475  U 0521
BRITE hierarchy
Other DBs
CAS: 5466-89-7
PubChem: 17396469
ChEBI: 79967
ChEMBL: CHEMBL353187
NIKKAJI: J23.582B
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8y C    23.8000  -16.5900
            2   C8x C    23.8000  -17.9900
            3   C8y C    25.0124  -18.6900
            4   C8y C    26.2249  -17.9900
            5   C8x C    26.2249  -16.5900
            6   C8x C    25.0124  -15.8900
            7   O1a O    27.4560  -18.7010
            8   C5a C    22.5876  -15.8900
            9   C1c C    21.3921  -16.5804
            10  C1a C    20.2047  -15.8949
            11  C1a C    21.3920  -17.9897
            12  O5a O    22.5875  -14.4902
            13  O1a O    25.0124  -20.0898
BOND        13
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     1   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 1
            12    8  12 2
            13    3  13 1

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