KEGG   COMPOUND: C12477
Entry
C12477                      Compound                               
Name
3-Methylpyrrole-2,4-dicarboxylic acid
Formula
C7H7NO4
Exact mass
169.0375
Mol weight
169.13
Structure
Reaction
R06777
Pathway
map00401  Novobiocin biosynthesis
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 582867
ChEBI: 31119
NIKKAJI: J2.783.702F
LinkDB
KCF data

ATOM        12
            1   N4x N    25.5181  -19.3238
            2   C8y C    25.9761  -18.0018
            3   C8y C    24.8511  -17.1590
            4   C8y C    23.7067  -17.9635
            5   C8x C    24.1193  -19.3072
            6   C1a C    24.8723  -15.7603
            7   C6a C    27.1824  -17.2900
            8   O6a O    28.3949  -17.9900
            9   C6a C    22.5176  -17.2900
            10  O6a O    21.3051  -17.9900
            11  O6a O    22.5118  -15.8903
            12  O6a O    27.1758  -15.8901
BOND        12
            1     3   6 1
            2     1   2 1
            3     2   3 2
            4     3   4 1
            5     5   1 1
            6     4   5 2
            7     2   7 1
            8     7   8 1
            9     4   9 1
            10    9  10 1
            11    9  11 2
            12    7  12 2

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