KEGG   COMPOUND: C10434Help
Entry
C10434                      Compound                               

Name
5-O-Caffeoylshikimic acid
Formula
C16H16O8
Exact mass
336.0845
Mol weight
336.2934
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylpropanoid biosynthesis
Flavonoid biosynthesis
Stilbenoid, diarylheptanoid and gingerol biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Module
M00039  
Monolignol biosynthesis, phenylalanine/tyrosine  => monolignol
Enzyme
1.14.13.36      2.3.1.133       3.1.1.-
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Caffeate derivatives
    C10434  5-O-Caffeoylshikimic acid
BRITE hierarchy
Other DBs
CAS: 
73263-62-4
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C1y C    25.2426  -17.3726
            2   C1x C    25.3009  -15.9750
            3   C1y C    24.0324  -18.0796
            4   O7a O    26.4587  -18.0853
            5   C2y C    24.0147  -15.2784
            6   C1y C    22.8160  -17.3901
            7   O1a O    24.0381  -19.4831
            8   C7a C    27.6691  -17.3901
            9   C2x C    22.8101  -15.9867
            10  C6a C    24.0089  -13.8808
            11  O1a O    21.6056  -18.0913
            12  C2b C    28.8678  -18.0913
            13  O6a O    27.6691  -15.9867
            14  O6a O    22.7926  -13.1856
            15  O6a O    25.2191  -13.1739
            16  C2b C    30.0851  -17.3960
            17  C8y C    31.2955  -18.0971
            18  C8x C    32.5118  -17.3960
            19  C8x C    31.2955  -19.4948
            20  C8y C    33.7163  -18.0971
            21  C8x C    32.5118  -20.1972
            22  C8y C    33.7163  -19.4948
            23  O1a O    34.9322  -17.3960
            24  O1a O    34.9322  -20.1972
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10    6  11 1 #Down
            11    8  12 1
            12    8  13 2
            13   10  14 2
            14   10  15 1
            15   12  16 2
            16   16  17 1
            17   17  18 1
            18   17  19 2
            19   18  20 2
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   22  24 1
            24    6   9 1
            25   21  22 2

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