KEGG   COMPOUND: C05582
Entry
C05582                      Compound                               
Name
Homovanillate;
Homovanillic acid;
3-Methoxy-4-hydroxyphenylacetate
Formula
C9H10O4
Exact mass
182.0579
Mol weight
182.17
Structure
Reaction
R03304 R04888 R04889
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
map04728  Dopaminergic synapse
Network
nt06544  Neuroactive ligand signaling
Enzyme
1.2.1.5         2.1.1.6
Other DBs
CAS: 306-08-1
PubChem: 7908
ChEBI: 545959
KNApSAcK: C00029504
PDB-CCD: YTX[PDBj]
NIKKAJI: J61.262F
KCF data

ATOM        13
            1   C8x C    12.9500   -6.6500
            2   C8y C    12.9500   -8.0500
            3   C8y C    14.1624   -8.7500
            4   C8x C    15.3749   -8.0500
            5   C8y C    15.3749   -6.6500
            6   C8x C    14.1624   -5.9500
            7   C1b C    16.6124   -5.9500
            8   C6a C    17.8249   -6.6500
            9   O6a O    19.0560   -5.9390
            10  O6a O    17.8250   -8.0498
            11  O2a O    14.1624  -10.1498
            12  O1a O    11.7376   -8.7500
            13  C1a C    12.9332  -10.8597
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 2
            10    8  10 1
            11    3  11 1
            12    2  12 1
            13   11  13 1

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  All links  
Chemical substance (12)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   KNApSAcK (1)   
   MASSBANK (6)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (12)   

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