KEGG   COMPOUND: C01494
Entry
C01494                      Compound                               
Name
Ferulate;
Ferulic acid;
4-Hydroxy-3-methoxycinnamic acid;
3-Methoxy-4-hydroxy-trans-cinnamate;
4-Hydroxy-3-methoxycinnamate
Formula
C10H10O4
Exact mass
194.0579
Mol weight
194.184
Structure
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.2.1.68        1.14.13.-       2.1.1.68        2.4.1.120       
2.4.1.126       3.1.1.73        3.5.1.71        4.1.1.102       
6.2.1.12        6.2.1.34
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Coniferyl alcohol derivatives
    C01494  Ferulate
Other DBs
CAS: 537-98-4
PubChem: 4664
ChEBI: 17620 193350
KNApSAcK: C00002743 C00034325
PDB-CCD: FER[PDBj]
3DMET: B00304
NIKKAJI: J7.273G
KCF data

ATOM        14
            1   C8y C    25.2000  -22.7500
            2   C8x C    25.2000  -24.1500
            3   C8x C    26.4124  -24.8500
            4   C8y C    27.6249  -24.1500
            5   C8y C    27.6249  -22.7500
            6   C8x C    26.4124  -22.0500
            7   O2a O    28.8560  -22.0390
            8   C1a C    28.8560  -20.6390
            9   O1a O    28.8560  -24.8610
            10  C2b C    23.9876  -22.0500
            11  C2b C    22.7921  -22.7404
            12  C6a C    21.6047  -22.0549
            13  O6a O    20.4135  -22.7429
            14  O6a O    21.6045  -20.6502
BOND        14
            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    1  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 1
            14   12  14 2

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