KEGG   COMPOUND: C05616
Entry
C05616                      Compound                               
Name
3-O-Methylgallate;
3-O-Methylgallic acid;
5-Hydroxyvanillic acid;
3,4-Dihydroxy-5-methoxybenzoate
Formula
C8H8O5
Exact mass
184.0372
Mol weight
184.15
Structure
Reaction
R03551 R04280 R09270 R09271 R09272
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.8       1.13.11.-       2.1.1.341       2.1.1.-
Brite
Dietary phytochemicals [br08012.html]
 Flavonoids
  C05616
Other DBs
CAS: 3934-84-7
PubChem: 7935
ChEBI: 28647
PDB-CCD: 7WR[PDBj]
NIKKAJI: J217.773K
LinkDB
KCF data

ATOM        13
            1   C8y C    26.1907  -16.8749
            2   C8x C    26.1907  -15.4763
            3   C8y C    24.9787  -17.5742
            4   O2a O    27.4029  -17.5742
            5   C8y C    24.9787  -14.7713
            6   C8y C    23.7607  -16.8749
            7   O1a O    24.9787  -18.9728
            8   C8x C    23.7607  -15.4763
            9   C6a C    24.9787  -13.3668
            10  O1a O    22.5487  -17.5742
            11  O6a O    26.1966  -12.6734
            12  O6a O    23.7665  -12.6675
            13  C1a C    28.5919  -16.8867
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 1
            7     5   8 1
            8     5   9 1
            9     6  10 1
            10    9  11 1
            11    9  12 2
            12    6   8 2
            13    4  13 1

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