KEGG   COMPOUND: C22588
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
Brite
Dietary phytochemicals [br08012.html]
 Flavonoids
  C22588
Other DBs
CAS: 29511-09-9
LinkDB
KCF data

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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