KEGG   COMPOUND: C05577
Entry
C05577                      Compound                               
Name
3,4-Dihydroxymandelaldehyde;
3,4-Dihydroxyphenylglycolaldehyde
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.1467
Structure
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
LinkDB
KCF data

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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