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
map00623  Toluene degradation
map01120  Microbial metabolism in diverse environments
map01220  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: 7190
ChEBI: 15565
NIKKAJI: J463.417I
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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