KEGG   COMPOUND: C17938
Entry
C17938                      Compound                               
Name
5,6-Indolequinone-2-carboxylic acid
Formula
C9H5NO4
Exact mass
191.0219
Mol weight
191.1403
Structure
Reaction
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
Enzyme
1.14.18.-
Other DBs
PubChem: 96024159
ChEBI: 81394
KCF data

ATOM        14
            1   C5x C    19.3200  -10.5000
            2   C5x C    19.3200  -11.9000
            3   C2x C    20.5324  -12.6000
            4   C2y C    21.7449  -11.9000
            5   C2y C    21.7449  -10.5000
            6   C2x C    20.5324   -9.8000
            7   O5x O    18.1076   -9.8000
            8   O5x O    18.1076  -12.6000
            9   N1x N    23.0764  -12.3326
            10  C2y C    23.8993  -11.2000
            11  C2x C    23.0764  -10.0674
            12  C6a C    25.2700  -11.2000
            13  O6a O    25.9700  -12.4124
            14  O6a O    25.9700   -9.9876
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 2
            8     2   8 2
            9     4   9 1
            10    9  10 1
            11   10  11 2
            12    5  11 1
            13   10  12 1
            14   12  13 2
            15   12  14 1

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