KEGG   COMPOUND: C05581
Entry
C05581                      Compound                               
Name
3-Methoxy-4-hydroxyphenylacetaldehyde;
(4-Hydroxy-3-methoxyphenyl)acetaldehyde;
Homovanillin
Formula
C9H10O3
Exact mass
166.0630
Mol weight
166.17
Structure
Reaction
R04888 R04889 R04890
Pathway
map00350  Tyrosine metabolism
map01100  Metabolic pathways
Enzyme
1.2.1.5         1.4.3.4
Other DBs
CAS: 5703-24-2
PubChem: 7907
ChEBI: 28111
NIKKAJI: J13.618B
LinkDB
KCF data

ATOM        12
            1   C8x C    20.6500  -15.6100
            2   C8y C    20.6500  -17.0100
            3   C8y C    21.8624  -17.7100
            4   C8x C    23.0749  -17.0100
            5   C8y C    23.0749  -15.6100
            6   C8x C    21.8624  -14.9100
            7   C1b C    24.3124  -14.9100
            8   C4a C    25.5249  -15.6100
            9   O4a O    26.7373  -14.9100
            10  O2a O    21.8624  -19.1098
            11  C1a C    20.6332  -19.8197
            12  O1a O    19.4376  -17.7100
BOND        12
            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    3  10 1
            11   10  11 1
            12    2  12 1

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