KEGG   COMPOUND: C05594
Entry
C05594                      Compound                               
Name
3-Methoxy-4-hydroxyphenylethyleneglycol
Formula
C9H12O4
Exact mass
184.0736
Mol weight
184.1892
Structure
Reaction
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
Enzyme
Other DBs
PubChem: 7918
ChEBI: 1576
3DMET: B05080
NIKKAJI: J227.869C
KCF data

ATOM        13
            1   C8x C    18.5500  -21.2800
            2   C8y C    18.5500  -22.6800
            3   C8y C    19.7624  -23.3800
            4   C8x C    20.9749  -22.6800
            5   C8y C    20.9749  -21.2800
            6   C8x C    19.7624  -20.5800
            7   C1c C    22.2124  -20.5800
            8   C1b C    23.4249  -21.2800
            9   O1a O    24.6373  -20.5800
            10  O1a O    22.2186  -19.1803
            11  O2a O    19.7624  -24.7798
            12  C1a C    18.5332  -25.4897
            13  O1a O    17.3376  -23.3800
BOND        13
            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    3  11 1
            12   11  12 1
            13    2  13 1

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