KEGG   COMPOUND: C00482Help
Entry
C00482                      Compound                               

Name
Sinapate;
Sinapic acid;
3,5-Dimethoxy-4-hydroxycinnamic acid
Formula
C11H12O5
Exact mass
224.0685
Mol weight
224.21
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylpropanoid biosynthesis
Biosynthesis of phenylpropanoids
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
1.2.1.68        2.1.1.68        2.4.1.120       2.4.1.126       
2.4.1.299       3.1.1.49        6.2.1.12
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Sinapate derivatives
    C00482  Sinapate
BRITE hierarchy
Other DBs
CAS: 
530-59-6 7362-37-0
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        16
            1   C8y C    25.3400  -18.4800
            2   C8x C    25.3400  -19.8800
            3   C8y C    26.5524  -20.5800
            4   C8y C    27.7649  -19.8800
            5   C8y C    27.7649  -18.4800
            6   C8x C    26.5524  -17.7800
            7   O2a O    28.9960  -17.7690
            8   C1a C    28.9960  -16.3690
            9   O1a O    28.9960  -20.5910
            10  O2a O    26.5524  -21.9798
            11  C1a C    25.3232  -22.6897
            12  C2b C    24.1276  -17.7800
            13  C2b C    22.9321  -18.4704
            14  C6a C    21.7447  -17.7849
            15  O6a O    20.5535  -18.4729
            16  O6a O    21.7445  -16.3802
BOND        16
            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     4   9 1
            10    3  10 1
            11   10  11 1
            12    1  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 1
            16   14  16 2

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