KEGG   COMPOUND: C04559
Entry
C04559                      Compound                               
Name
4-Methylmuconolactone;
4-Carboxymethyl-4-methylbut-2-en-1,4-olide
Formula
C7H8O4
Exact mass
156.0423
Mol weight
156.136
Structure
Reaction
R04510 R05300
Pathway
map00623  Toluene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
5.4.99.14       5.5.1.1
Other DBs
PubChem: 7163
ChEBI: 16766
NIKKAJI: J1.004.626B
LinkDB
KCF data

ATOM        11
            1   C1z C    26.1562  -21.2986
            2   O7x O    27.2907  -20.4683
            3   C2x C    26.5949  -22.6261
            4   C1b C    24.8229  -20.8658
            5   C1a C    25.1680  -22.2869
            6   C7x C    28.4253  -21.2986
            7   C2x C    27.9925  -22.6261
            8   C6a C    24.5305  -19.4975
            9   O6a O    29.7586  -20.8658
            10  O6a O    25.5714  -18.5617
            11  O6a O    23.2032  -19.0647
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     6   9 2
            9     8  10 1
            10    8  11 2
            11    6   7 1

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