KEGG   COMPOUND: C18317
Entry
C18317                      Compound                               
Name
2,4,5-Trihydroxytoluene
Formula
C7H8O3
Exact mass
140.0473
Mol weight
140.1366
Structure
Reaction
R09236 R09237
Pathway
map00633  Nitrotoluene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.1.1.-         1.13.11.-
Other DBs
CAS: 1124-09-0
PubChem: 103061499
ChEBI: 81668
LinkDB
KCF data

ATOM        10
            1   C8x C    20.6500  -18.3400
            2   C8y C    20.6500  -19.7400
            3   C8y C    21.8624  -20.4400
            4   C8x C    23.0749  -19.7400
            5   C8y C    23.0749  -18.3400
            6   C8y C    21.8624  -17.6400
            7   C1a C    21.8624  -16.2402
            8   O1a O    24.3060  -17.6290
            9   O1a O    19.4376  -20.4400
            10  O1a O    21.8624  -21.8398
BOND        10
            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     6   7 1
            8     5   8 1
            9     2   9 1
            10    3  10 1

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