KEGG   COMPOUND: C01197Help
Entry
C01197                      Compound                               

Name
Caffeate;
Caffeic acid;
3,4-Dihydroxy-trans-cinnamate;
trans-Caffeate;
(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoate
Formula
C9H8O4
Exact mass
180.0423
Mol weight
180.1574
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Caffeate (generic) [CPD:C01481]
Reaction
Pathway
Phenylpropanoid biosynthesis
Biosynthesis of phenylpropanoids
Metabolic pathways
Biosynthesis of secondary metabolites
Degradation of aromatic compounds
Module
M00039  
Monolignol biosynthesis, phenylalanine/tyrosine  => monolignol
Enzyme
1.13.11.22      1.14.13.-       1.14.18.1       2.1.1.68        
2.8.3.23        3.1.1.42        3.1.1.-         4.1.1.102       
6.2.1.12
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Caffeate derivatives
    C01197  Caffeate
BRITE hierarchy
Other DBs
CAS: 
501-16-6
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        13
            1   C8y C    15.1200  -18.6900
            2   C8x C    15.1200  -20.0900
            3   C8x C    16.3324  -20.7900
            4   C8y C    17.5449  -20.0900
            5   C8y C    17.5449  -18.6900
            6   C8x C    16.3324  -17.9900
            7   O1a O    18.7760  -20.8010
            8   O1a O    18.7760  -17.9790
            9   C2b C    13.9076  -17.9900
            10  C2b C    12.7121  -18.6804
            11  C6a C    11.5247  -17.9949
            12  O6a O    10.3335  -18.6829
            13  O6a O    11.5245  -16.5902
BOND        13
            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 1
            13   11  13 2

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