KEGG   COMPOUND: C22571
Entry
C22571                      Compound                               
Name
5-Hydroxy-5-(4-hydroxyphenyl)-3-oxopentanoate
Formula
C11H12O5
Exact mass
224.0685
Mol weight
224.21
Structure
Reaction
R13077 R13078
Pathway
map00946  Degradation of flavonoids
LinkDB
KCF data

ATOM        16
            1   C6a C    15.6025  -15.6020
            2   C1b C    15.6025  -17.0013
            3   C5a C    16.8143  -17.7010
            4   C1b C    18.0262  -17.0013
            5   C1c C    18.0262  -15.6020
            6   O6a O    16.8143  -14.9023
            7   C8y C    19.2567  -14.8914
            8   O6a O    14.3907  -14.9023
            9   O5a O    16.8143  -19.1001
            10  C8x C    20.4613  -15.5867
            11  C8x C    21.6730  -14.8870
            12  C8y C    21.6730  -13.4876
            13  C8x C    20.4684  -12.7923
            14  C8x C    19.2566  -13.4920
            15  O1a O    22.8903  -12.7846
            16  O1a O    19.2962  -16.7320
BOND        16
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   6 1
            6     5   7 1
            7     1   8 2
            8     3   9 2
            9     7  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14    7  14 1
            15   12  15 1
            16    5  16 1

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