COMPOUND: C22588
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Entry
C22588 Compound
Name
3,4,5-Trihydroxyphenylacetate;
2-(3,4,5-Trihydroxyphenyl)acetic Acid
Formula
C8H8O5
Exact mass
184.0372
Mol weight
184.1461
Structure
Mol file
KCF file
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Brite
Dietary phytochemicals [
br08012.html
]
Flavonoids
C22588
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Other DBs
CAS:
29511-09-9
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KCF data
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ATOM 13
1 C8y C 18.6026 -15.2440
2 C8x C 17.3435 -14.5445
3 C8x C 18.6026 -16.6430
4 C1b C 19.7917 -14.5445
5 C8y C 16.1543 -15.3140
6 C8y C 17.4134 -17.3425
7 C6a C 20.9809 -15.2440
8 C8y C 16.1543 -16.7130
9 O1a O 14.9651 -14.6144
10 O6a O 22.2400 -14.5445
11 O6a O 20.9809 -16.6430
12 O1a O 14.9651 -17.4125
13 O1a O 17.4615 -18.7596
BOND 13
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 1
9 7 10 1
10 7 11 2
11 8 12 1
12 6 8 2
13 6 13 1
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