COMPOUND: C05580
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Entry
C05580 Compound
Name
3,4-Dihydroxymandelate;
3,4-Dihydroxymandelic acid;
Dihydroxymandelic acid
Formula
C8H8O5
Exact mass
184.0372
Mol weight
184.1461
Structure
Mol file
KCF file
DB search
Reaction
R04882
R04883
R04887
Pathway
map00350
Tyrosine metabolism
map01100
Metabolic pathways
Enzyme
1.2.1.5
2.1.1.6
Other DBs
CAS:
775-01-9
PubChem:
7906
ChEBI:
27637
3DMET:
B05075
NIKKAJI:
J128.158E
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All DBs
KCF data
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ATOM 13
1 C8y C 21.0000 -17.9900
2 C1c C 22.1900 -17.2900
3 C6a C 23.4500 -17.9900
4 O6a O 24.6400 -17.2900
5 O1a O 22.1900 -15.8900
6 O6a O 23.4500 -19.3900
7 C8x C 18.5500 -17.9900
8 C8y C 18.5500 -19.3900
9 C8y C 19.7400 -20.0900
10 C8x C 21.0000 -19.3900
11 C8x C 19.7400 -17.2900
12 O1a O 17.3600 -20.0900
13 O1a O 19.7400 -21.4900
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 2 5 1
5 3 6 2
6 7 8 2
7 8 9 1
8 9 10 2
9 10 1 1
10 1 11 2
11 7 11 1
12 8 12 1
13 9 13 1
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