KEGG   COMPOUND: C12456
Entry
C12456                      Compound                               

Name
3-Dimethylallyl-4-hydroxyphenylpyruvate;
3-[4-Hydroxy-3-(2-methylprop-1-en-1-yl)phenyl]-2-oxopropanoate
Formula
C14H16O4
Exact mass
248.1049
Mol weight
248.2744
Structure
Reaction
Pathway
map00401  Novobiocin biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.13.11.83      2.5.1.111
Other DBs
PubChem: 582846
ChEBI: 31113 74408
3DMET: B04522
NIKKAJI: J2.783.660G
LinkDB
KCF data

ATOM        18
            1   C8y C    25.7823  -15.1088
            2   C8x C    25.7880  -16.5138
            3   C8x C    26.9923  -14.4086
            4   C8y C    26.9981  -17.2128
            5   C8x C    28.2071  -15.1030
            6   C8y C    28.2130  -16.5080
            7   C1b C    26.9981  -18.6107
            8   O1a O    29.4218  -17.1940
            9   C2b C    28.2130  -19.3166
            10  C2c C    28.2130  -20.7159
            11  C1a C    29.4218  -21.4147
            12  C1a C    26.9981  -21.4147
            13  O6a O    20.9405  -15.1199
            14  C6a C    22.1522  -14.4155
            15  C5a C    23.3641  -15.1130
            16  C1b C    24.5760  -14.4084
            17  O6a O    22.1492  -13.0134
            18  O5a O    23.3672  -16.5149
BOND        18
            1     4   7 1
            2     6   8 1
            3     7   9 1
            4     9  10 2
            5    10  11 1
            6    10  12 1
            7     5   6 2
            8     1   2 1
            9     1   3 2
            10    2   4 2
            11    3   5 1
            12    4   6 1
            13   15  16 1
            14   16   1 1
            15   13  14 1
            16   14  15 1
            17   14  17 2
            18   15  18 2

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