KEGG   COMPOUND: C22602
Entry
C22602                      Compound                               
Name
3,5-Dihydroxyphenylpropanoate;
3-(3,5-Dihydroxyphenyl)propionic acid
Formula
C9H10O4
Exact mass
182.0579
Mol weight
182.1733
Structure
Brite
Dietary phytochemicals [br08012.html]
 Flavonoids
  C22602
Other DBs
CAS: 26539-01-5
LinkDB
KCF data

ATOM        13
            1   C8x C    20.0936  -10.1654
            2   C8y C    21.4018  -10.8145
            3   C8x C    22.5931  -10.0548
            4   C8y C    22.5931   -8.6620
            5   C8x C    21.2770   -8.0130
            6   C8y C    20.0936   -8.7568
            7   O1a O    23.7049   -7.9042
            8   C1b C    18.9099   -8.0698
            9   C1b C    17.6960   -8.7706
            10  C6a C    16.4822   -8.0698
            11  O6a O    15.2548   -8.7790
            12  O1a O    21.4018  -12.1789
            13  O6a O    16.4822   -6.6504
BOND        13
            1     6   1 1
            2     1   2 2
            3     2   3 1
            4     3   4 2
            5     4   5 1
            6     5   6 2
            7     4   7 1
            8     6   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    2  12 1
            13   10  13 2

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