KEGG   COMPOUND: C07350
Entry
C07350                      Compound                               

Name
Phlorisovalerophenone;
3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
Formula
C11H14O4
Exact mass
210.0892
Mol weight
210.2265
Structure
Reaction
Enzyme
Other DBs
PubChem: 9557
ChEBI: 15951
ChEMBL: CHEMBL19948
3DMET: B01088
NIKKAJI: J477.910J
KCF data

ATOM        15
            1   C8y C    27.4559  -19.5069
            2   C5a C    28.6683  -20.2037
            3   C8y C    27.4559  -18.1070
            4   C8y C    26.2436  -20.2097
            5   C1b C    29.8806  -19.5069
            6   O5a O    28.6741  -21.6036
            7   C8x C    26.2436  -17.4044
            8   O1a O    28.6683  -17.4044
            9   C8x C    25.0313  -19.5127
            10  O1a O    26.2494  -21.6094
            11  C1c C    31.0929  -20.2037
            12  C8y C    25.0313  -18.1070
            13  C1a C    32.2993  -19.5069
            14  C1a C    31.0929  -21.6036
            15  O1a O    23.8130  -17.4102
BOND        15
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    7  12 2
            12   11  13 1
            13   11  14 1
            14   12  15 1
            15    9  12 1

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