KEGG   COMPOUND: C12456Help
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
Mol fileKCF fileDB search
Reaction
Pathway
map00401  Novobiocin biosynthesis
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
Enzyme
1.13.11.83      2.5.1.111
Other DBs
PubChem: 582846
ChEBI: 31113 74408
3DMET: B04522
NIKKAJI: J2.783.660G
LinkDB All DBs
KCF data Show

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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