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