COMPOUND: C12325
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Entry
C12325 Compound
Name
3,5-Dihydroxyphenylglyoxylate;
2-(3,5-Dihydroxyphenyl)-2-oxoacetate
Formula
C8H6O5
Exact mass
182.0215
Mol weight
182.13
Structure
Mol file
KCF file
DB search
Reaction
R06624
R06634
Pathway
map01055
Biosynthesis of vancomycin group antibiotics
map01110
Biosynthesis of secondary metabolites
Enzyme
1.13.11.80
2.6.1.103
Other DBs
PubChem:
582715
ChEBI:
31104
NIKKAJI:
J1.571.742D
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KCF data
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ATOM 13
1 C8y C 27.5699 -17.9015
2 C8x C 26.3592 -18.6080
3 C8y C 25.1430 -17.9074
4 C8x C 25.1387 -16.5163
5 C8y C 26.3494 -15.8098
6 C8x C 27.5645 -16.4945
7 C5a C 23.9313 -18.6125
8 C6a C 22.7149 -17.9228
9 O5a O 23.9333 -20.0170
10 O6a O 21.5033 -18.6278
11 O6a O 22.7128 -16.5183
12 O1a O 28.7806 -18.5938
13 O1a O 26.3389 -14.4152
BOND 13
1 3 7 1
2 1 2 2
3 7 8 1
4 2 3 1
5 7 9 2
6 3 4 2
7 8 10 1
8 4 5 1
9 8 11 2
10 5 6 2
11 1 12 1
12 6 1 1
13 5 13 1
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