KEGG   COMPOUND: C05582Help
Entry
C05582                      Compound                               

Name
Homovanillate;
Homovanillic acid;
3-Methoxy-4-hydroxyphenylacetate
Formula
C9H10O4
Exact mass
182.0579
Mol weight
182.1733
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
map04728  Dopaminergic synapse
Enzyme
1.2.1.5         2.1.1.6
Other DBs
CAS: 306-08-1
PubChem: 7908
ChEBI: 545959
ChEMBL: CHEMBL1562
KNApSAcK: C00029504
PDB-CCD: YTX[PDBj]
3DMET: B00798
NIKKAJI: J61.262F
LinkDB All DBs
KCF data Show

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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