KEGG   COMPOUND: C12457
Entry
C12457                      Compound                               
Name
3-Dimethylallyl-4-hydroxymandelic acid;
3-Dimethylallyl-4-hydroxymandelate;
4-Hydroxy-3-prenylmandelate
Formula
C13H16O4
Exact mass
236.1049
Mol weight
236.2637
Structure
Reaction
R06758 R06759
Pathway
map00401  Novobiocin biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.13.11.83      1.13.12.23
Other DBs
PubChem: 582847
ChEBI: 31112
3DMET: B05646
NIKKAJI: J2.783.672K
LinkDB
KCF data

ATOM        17
            1   C8y C    25.1659  -15.1404
            2   C8x C    25.1716  -16.5450
            3   C8x C    26.3759  -14.4403
            4   C8y C    26.3816  -17.2439
            5   C8x C    27.5903  -15.1346
            6   C8y C    27.5962  -16.5392
            7   C1b C    26.3816  -18.6416
            8   O1a O    28.8048  -17.2253
            9   C2b C    27.5962  -19.3476
            10  C2c C    27.5962  -20.7466
            11  C1a C    28.8048  -21.4453
            12  C1a C    26.3816  -21.4453
            13  O6a O    21.5296  -14.4472
            14  C6a C    22.7411  -15.1446
            15  C1c C    23.9528  -14.4401
            16  O6a O    22.7442  -16.5463
            17  O1a O    23.9498  -13.0382
BOND        17
            1     4   6 1
            2     4   7 1
            3     6   8 1
            4     7   9 1
            5     9  10 2
            6    10  11 1
            7    10  12 1
            8     5   6 2
            9     1   2 1
            10    1   3 2
            11    2   4 2
            12    3   5 1
            13   15   1 1
            14   13  14 1
            15   14  16 2
            16   14  15 1
            17   15  17 1

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