COMPOUND: C05577
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Entry
C05577 Compound
Name
3,4-Dihydroxymandelaldehyde;
3,4-Dihydroxyphenylglycolaldehyde
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.1467
Structure
Mol file
KCF file
DB search
Reaction
R02532
R02919
R04880
R04882
R04883
Pathway
map00350
Tyrosine metabolism
map01100
Metabolic pathways
Enzyme
1.1.1.1
1.2.1.5
1.4.3.4
Other DBs
CAS:
13023-73-9
PubChem:
7903
ChEBI:
27852
3DMET:
B05074
NIKKAJI:
J678.576J
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All DBs
KCF data
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ATOM 12
1 C8y C 14.4900 -17.8500
2 C8y C 14.4900 -19.2500
3 C8x C 15.7024 -19.9500
4 C8x C 16.9149 -19.2500
5 C8y C 16.9149 -17.8500
6 C8x C 15.7024 -17.1500
7 C1c C 18.1524 -17.1500
8 C4a C 19.3649 -17.8500
9 O4a O 20.5773 -17.1500
10 O1a O 18.1586 -15.7503
11 O1a O 13.2776 -19.9500
12 O1a O 13.2776 -17.1500
BOND 12
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 2
10 7 10 1
11 2 11 1
12 1 12 1
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