KEGG   COMPOUND: C05610Help
Entry
C05610                      Compound                               

Name
Sinapoyl aldehyde;
Sinapaldehyde
Formula
C11H12O4
Exact mass
208.0736
Mol weight
208.2106
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylpropanoid biosynthesis
Biosynthesis of phenylpropanoids
Metabolic pathways
Biosynthesis of secondary metabolites
Module
M00039  
Monolignol biosynthesis, phenylalanine/tyrosine  => monolignol
Enzyme
1.1.1.195       1.2.1.44        1.2.1.68        2.1.1.68
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Sinapate derivatives
    C05610  Sinapoyl aldehyde
BRITE hierarchy
Other DBs
CAS: 
4206-58-0
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        15
            1   C8y C    23.1700  -20.0200
            2   C8x C    23.1700  -21.4200
            3   C8y C    24.3824  -22.1200
            4   C8y C    25.5949  -21.4200
            5   C8y C    25.5949  -20.0200
            6   C8x C    24.3824  -19.3200
            7   O2a O    26.8260  -19.3090
            8   C1a C    26.8260  -17.9090
            9   O2a O    24.3824  -23.5198
            10  C1a C    23.1532  -24.2297
            11  O1a O    26.8260  -22.1310
            12  C2b C    21.9576  -19.3200
            13  C2b C    20.7621  -20.0104
            14  C4a C    19.5747  -19.3249
            15  O4a O    19.5747  -17.9249
BOND        15
            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     3   9 1
            10    9  10 1
            11    4  11 1
            12    1  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2

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