KEGG   COMPOUND: C06729
Entry
C06729                      Compound                               
Name
cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate;
4-Methylcyclohexa-3,5-diene-1,2-cis-diol-1-carboxylic acid
Formula
C8H10O4
Exact mass
170.0579
Mol weight
170.1626
Structure
Reaction
R05290 R05291 R05292 R05293
Pathway
map00622  Xylene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00551  Benzoate degradation, benzoate => catechol / methylbenzoate => methylcatechol
Enzyme
1.3.1.67        1.14.12.-
Other DBs
PubChem: 8951
ChEBI: 17095 182528
NIKKAJI: J2.368.064E
LinkDB
KCF data

ATOM        12
            1   C1z C    25.8595  -20.5683
            2   C1y C    27.0722  -19.8863
            3   C2x C    25.8421  -21.9733
            4   C6a C    24.6527  -19.8630
            5   O1a O    25.8537  -19.1751
            6   C2x C    28.2790  -20.5974
            7   O1a O    27.0838  -18.4929
            8   C2x C    27.0429  -22.6904
            9   O6a O    23.4285  -20.5450
            10  O6a O    24.6644  -18.4579
            11  C2y C    28.2673  -21.9966
            12  C1a C    29.4741  -22.7195
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10    6  11 2
            11   11  12 1
            12    8  11 1

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