KEGG   COMPOUND: C00822Help
Entry
C00822                      Compound                               

Name
Dopaquinone
Formula
C9H9NO4
Exact mass
195.0532
Mol weight
195.1721
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00350  Tyrosine metabolism
map00965  Betalain biosynthesis
map01100  Metabolic pathways
Enzyme
1.10.3.1        1.14.18.1
Other DBs
CAS: 4430-97-1 25520-73-4
PubChem: 4080
ChEBI: 16852
3DMET: B01340
KCF data Show

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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