KEGG   COMPOUND: C04592Help
Entry
C04592                      Compound                               

Name
Toluene-cis-dihydrodiol;
(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol
Formula
C7H10O2
Exact mass
126.0681
Mol weight
126.1531
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Toluene degradation
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Module
M00547  
Benzene/toluene degradation, benzene => catechol / toluene => 3-methylcatechol
Enzyme
1.3.1.19        1.14.12.11
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        9
            1   C1y C    29.3140  -16.6059
            2   C2y C    28.0878  -15.9303
            3   C1y C    29.3190  -18.0473
            4   O1a O    30.5014  -15.9015
            5   C2x C    26.8054  -16.6622
            6   C1a C    28.0490  -14.5502
            7   C2x C    28.1316  -18.7517
            8   O1a O    30.4839  -18.6892
            9   C2x C    26.8354  -18.0761
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     5   9 1
            9     7   9 2

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