KEGG   COMPOUND: C10945Help
Entry
C10945                      Compound                               

Name
Caffeic aldehyde;
3,4-Dihydroxycinnamaldehyde;
Caffeyl aldehyde
Formula
C9H8O3
Exact mass
164.0473
Mol weight
164.158
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylpropanoid biosynthesis
Biosynthesis of secondary metabolites
Enzyme
1.1.1.195       1.2.1.44        1.14.13.-       2.1.1.68
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Caffeate derivatives
    C10945  Caffeic aldehyde
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C8y C    27.4518  -19.5169
            2   C8x C    27.4518  -20.9210
            3   C8x C    26.2583  -21.6230
            4   C8y C    24.9946  -20.9210
            5   C8y C    24.9946  -19.5169
            6   C8x C    26.2583  -18.8149
            7   O1a O    23.8012  -21.6230
            8   O1a O    23.8012  -18.8149
            9   C2b C    28.6452  -18.8149
            10  C2b C    29.8387  -19.5169
            11  C4a C    31.0322  -18.8149
            12  O4a O    32.2397  -19.4992
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     4   7 1
            8     5   8 1
            9     1   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2

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