COMPOUND: C06207
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Entry
C06207 Compound
Name
2,6-Dihydroxyphenylacetate
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.1467
Structure
Mol file
KCF file
DB search
Reaction
R05001
Pathway
map00360
Phenylalanine metabolism
Other DBs
PubChem:
8457
ChEBI:
28440
952
3DMET:
B00922
NIKKAJI:
J2.367.889F
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KCF data
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ATOM 12
1 C8y C 25.0019 -17.2115
2 C8y C 23.7060 -17.8465
3 C8y C 25.0098 -15.7723
4 C1b C 26.1172 -17.9566
5 C8x C 22.5207 -17.1015
6 O1a O 23.7354 -19.2265
7 C8x C 23.8245 -15.0272
8 O1a O 26.1657 -15.0673
9 C6a C 27.3431 -17.3216
10 C8x C 22.5613 -15.7215
11 O6a O 27.3510 -15.8823
12 O6a O 28.5284 -18.0666
BOND 12
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 9 11 1
11 9 12 2
12 7 10 2
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