KEGG   COMPOUND: C22572
Entry
C22572                      Compound                               
Name
4-Hydroxy-4-(4-hydroxyphenyl)-butan-2-one
Formula
C10H12O3
Exact mass
180.0786
Mol weight
180.20
Structure
Reaction
R13078 R13079
Pathway
map00946  Degradation of flavonoids
Other DBs
PubChem: 497619931
LinkDB
KCF data

ATOM        13
            1   C1a C    15.6506  -17.0413
            2   C5a C    16.8330  -17.7368
            3   C1b C    18.0155  -17.0413
            4   C1c C    18.0155  -15.6502
            5   C8y C    19.1979  -14.9546
            6   O5a O    16.8330  -19.0583
            7   C8x C    20.3803  -15.6502
            8   C8x C    21.6323  -14.9546
            9   C8y C    21.6323  -13.5635
            10  C8x C    20.4499  -12.8680
            11  C8x C    19.1979  -13.5635
            12  O1a O    22.8147  -12.8680
            13  O1a O    16.7944  -14.9516
BOND        13
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 2
            6     5   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    5  11 1
            12    9  12 1
            13    4  13 1

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