KEGG   COMPOUND: C06579
Entry
C06579                      Compound                               
Name
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate;
cis-5,6-Dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate;
(2R,3S)-2,3-Dihydroxy-2,3-dihydro-p-cumate
Formula
C10H14O4
Exact mass
198.0892
Mol weight
198.22
Structure
Reaction
R05240 R05247
Pathway
map00622  Xylene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00539  Cumate degradation, p-cumate => 2-oxopent-4-enoate + 2-methylpropanoate
Enzyme
1.3.1.58        1.14.12.25
Other DBs
PubChem: 8808
ChEBI: 18242
NIKKAJI: J2.374.143A
LinkDB
KCF data

ATOM        14
            1   C2y C    28.2150  -18.3378
            2   C1y C    29.4198  -17.6419
            3   C2x C    26.9984  -17.6419
            4   C1c C    28.2150  -19.7415
            5   C1y C    29.4198  -16.2381
            6   O1a O    30.6363  -18.3378
            7   C2x C    26.9984  -16.2381
            8   C1a C    27.0043  -20.4376
            9   C1a C    29.4315  -20.4376
            10  C2y C    28.2150  -15.5422
            11  O1a O    30.6363  -15.5422
            12  C6a C    28.2150  -14.1442
            13  O6a O    29.4315  -13.4424
            14  O6a O    27.0043  -13.4424
BOND        14
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Up
            11   10  12 1
            12   12  13 1
            13   12  14 2
            14    7  10 2

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