KEGG   COMPOUND: C01111
Entry
C01111                      Compound                               
Name
7,8-Dihydroxykynurenate
Formula
C10H7NO5
Exact mass
221.0324
Mol weight
221.1663
Structure
Reaction
Pathway
map00380  Tryptophan metabolism
Enzyme
1.3.1.18        1.13.11.10
Other DBs
PubChem: 4343
ChEBI: 17508
3DMET: B00242
NIKKAJI: J2.380.286D
KCF data

ATOM        16
            1   C8y C    28.5178  -17.5212
            2   C8y C    28.5178  -16.0496
            3   N5x N    29.8022  -18.2634
            4   C8y C    27.2404  -18.2634
            5   C8y C    29.7888  -15.3005
            6   C8x C    27.2404  -15.3206
            7   C8y C    31.0529  -17.4475
            8   C8y C    25.9829  -17.5212
            9   O1a O    27.2338  -19.7216
            10  C8x C    31.0794  -16.0430
            11  O1a O    29.8524  -14.2051
            12  C8x C    25.9829  -16.0496
            13  C6a C    31.8623  -17.9693
            14  O1a O    24.7905  -18.1718
            15  O6a O    32.9045  -17.3119
            16  O6a O    31.8555  -19.3900
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14   13  15 1
            15    7  10 1
            16    8  12 1
            17   13  16 2

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