KEGG   COMPOUND: C16401
Entry
C16401                      Compound                               
Name
2,4,6-Trihydroxytoluene;
2-Methylphloroglucinol
Formula
C7H8O3
Exact mass
140.0473
Mol weight
140.1366
Structure
Reaction
R08040 R08041
Pathway
map00633  Nitrotoluene degradation
map01120  Microbial metabolism in diverse environments
Other DBs
CAS: 88-03-9
PubChem: 47205699
ChEBI: 19336
NIKKAJI: J4.284F
LinkDB
KCF data

ATOM        10
            1   C8y C    28.0622  -24.0981
            2   C8x C    28.0622  -25.4965
            3   C8y C    29.2771  -26.1990
            4   C8x C    30.4847  -25.4965
            5   C8y C    30.4847  -24.0981
            6   C8y C    29.2771  -23.4025
            7   C1a C    29.2788  -22.0044
            8   O1a O    31.6973  -23.4035
            9   O1a O    29.2788  -27.5972
            10  O1a O    26.8378  -23.3878
BOND        10
            1     6   7 1
            2     1   2 2
            3     5   8 1
            4     2   3 1
            5     3   9 1
            6     3   4 2
            7     4   5 1
            8     5   6 2
            9     6   1 1
            10    1  10 1

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