KEGG   COMPOUND: C06321
Entry
C06321                      Compound                               
Name
(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate;
cis-1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate;
cis-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid
Formula
C7H8O4
Exact mass
156.0423
Mol weight
156.136
Structure
Reaction
R00813 R05621 R05622
Pathway
map00362  Benzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00551  Benzoate degradation, benzoate => catechol / methylbenzoate => methylcatechol
Enzyme
1.3.1.25        1.14.12.10
Other DBs
PubChem: 8557
ChEBI: 18340 37888
NIKKAJI: J1.936.395C
LinkDB
KCF data

ATOM        11
            1   C1z C    26.5709  -20.9709
            2   C1y C    27.7837  -21.6706
            3   C2x C    25.3526  -21.6706
            4   C6a C    26.5709  -19.5776
            5   O1a O    27.5563  -19.9856
            6   C2x C    27.7837  -23.0815
            7   O1a O    28.9905  -20.9709
            8   C2x C    25.3526  -23.0815
            9   O6a O    27.7837  -18.8837
            10  O6a O    25.3641  -18.8780
            11  C2x C    26.5709  -23.7752
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10    6  11 2
            11    8  11 1

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