KEGG   COMPOUND: C00822
Entry
C00822                      Compound                               
Name
Dopaquinone
Formula
C9H9NO4
Exact mass
195.0532
Mol weight
195.1721
Structure
Reaction
R00045 R02078 R02962 R03672 R08848
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
Network
nt06028  Dopamine and serotonin metabolism
Enzyme
1.10.3.1        1.14.18.1
Other DBs
CAS: 4430-97-1 25520-73-4
PubChem: 4080
ChEBI: 16852
PDB-CCD: G1X[PDBj]
3DMET: B01340
LinkDB
KCF data

ATOM        14
            1   C5x C    21.4200  -23.2400
            2   C5x C    21.4200  -24.6400
            3   C2x C    22.6800  -22.4700
            4   O5x O    20.2300  -22.5400
            5   C2x C    22.6800  -25.3400
            6   O5x O    20.3000  -25.3400
            7   C2y C    23.8700  -23.1700
            8   C2x C    23.8700  -24.5700
            9   C1b C    25.0600  -22.4700
            10  C1c C    26.3200  -23.1700
            11  C6a C    27.5100  -22.4000
            12  N1a N    26.3200  -24.5700
            13  O6a O    28.7700  -23.1000
            14  O6a O    27.5100  -21.0000
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     5   8 2
            8     7   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 1 #Up
            12   11  13 1
            13   11  14 2
            14    7   8 1

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