KEGG   COMPOUND: C05834
Entry
C05834                      Compound                               
Name
3-Methyldioxyindole;
3-Hydroxy-3-methyloxindole
Formula
C9H9NO2
Exact mass
163.0633
Mol weight
163.17
Structure
Reaction
R03092
Pathway
map00380  Tryptophan metabolism
Other DBs
PubChem: 8127
NIKKAJI: J562.257C
LinkDB
KCF data

ATOM        12
            1   C8x C    12.2500  -16.9400
            2   C8x C    12.2500  -18.3400
            3   C8x C    13.4624  -19.0400
            4   C8y C    14.6749  -18.3400
            5   C8y C    14.6749  -16.9400
            6   C8x C    13.4624  -16.2400
            7   N1x N    16.0064  -18.7726
            8   C5x C    16.8293  -17.6400
            9   C1z C    16.0064  -16.5074
            10  O5x O    18.2293  -17.6400
            11  C1a C    17.2188  -15.8074
            12  O1a O    15.3064  -15.2949
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 2
            12    9  11 1
            13    9  12 1

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