KEGG   COMPOUND: C05584
Entry
C05584                      Compound                               
Name
3-Methoxy-4-hydroxymandelate;
Vanillylmandelic acid
Formula
C9H10O5
Exact mass
198.0528
Mol weight
198.1727
Structure
Reaction
R04887 R04891 R04892
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
Enzyme
1.2.1.5         2.1.1.6
Other DBs
CAS: 55-10-7
PubChem: 7910
ChEBI: 20106 27622
3DMET: B05077
NIKKAJI: J27.583B
LinkDB
KCF data

ATOM        14
            1   C8x C    22.1900  -19.8100
            2   C8y C    22.1900  -21.2100
            3   C8y C    23.4024  -21.9100
            4   C8x C    24.6149  -21.2100
            5   C8y C    24.6149  -19.8100
            6   C8x C    23.4024  -19.1100
            7   C1c C    25.8524  -19.1100
            8   C6a C    27.0649  -19.8100
            9   O6a O    28.2773  -19.1100
            10  O1a O    25.8586  -17.7103
            11  O6a O    27.0649  -21.2098
            12  O2a O    23.4024  -23.3098
            13  C1a C    22.1732  -24.0197
            14  O1a O    20.9776  -21.9100
BOND        14
            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    8  11 2
            12    3  12 1
            13   12  13 1
            14    2  14 1

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