KEGG   COMPOUND: C05576
Entry
C05576                      Compound                               
Name
3,4-Dihydroxyphenylethyleneglycol
Formula
C8H10O4
Exact mass
170.0579
Mol weight
170.16
Structure
Reaction
R04880 R04881
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
Enzyme
1.1.1.1         2.1.1.6
Other DBs
CAS: 3343-19-9
PubChem: 7902
ChEBI: 1387
NIKKAJI: J45.947J
LinkDB
KCF data

ATOM        12
            1   C8y C    14.8400  -17.1500
            2   C8y C    14.8400  -18.5500
            3   C8x C    16.0524  -19.2500
            4   C8x C    17.2649  -18.5500
            5   C8y C    17.2649  -17.1500
            6   C8x C    16.0524  -16.4500
            7   C1c C    18.5024  -16.4500
            8   C1b C    19.7149  -17.1500
            9   O1a O    20.9273  -16.4500
            10  O1a O    18.5086  -15.0503
            11  O1a O    13.6276  -19.2500
            12  O1a O    13.6276  -16.4500
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 1
            10    7  10 1
            11    2  11 1
            12    1  12 1

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