KEGG   COMPOUND: C02947Help
Entry
C02947                      Compound                               

Name
4-Coumaroylshikimate;
trans-5-O-(4-Coumaroyl)shikimate
Formula
C16H16O7
Exact mass
320.0896
Mol weight
320.294
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map00941  Flavonoid biosynthesis
map00945  Stilbenoid, diarylheptanoid and gingerol biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00039  Monolignol biosynthesis, phenylalanine/tyrosine => monolignol
Enzyme
1.14.14.96      2.3.1.133
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Paracoumaryl alcohol derivatives
    C02947  4-Coumaroylshikimate
BRITE hierarchy
Other DBs
PubChem: 5866
ChEBI: 16428
ChEMBL: CHEMBL34615
PDB-CCD: SKT[PDBj]
3DMET: B01614
NIKKAJI: J2.380.119A
KCF data Show

ATOM        23
            1   C1y C    25.2446  -17.3591
            2   C1x C    25.3029  -15.9620
            3   C1y C    24.0349  -18.0658
            4   O7a O    26.4603  -18.0716
            5   C2y C    24.0172  -15.2657
            6   C1y C    22.8190  -17.3766
            7   O1a O    24.0406  -19.4688
            8   C7a C    27.6703  -17.3766
            9   C2x C    22.8130  -15.9737
            10  C6a C    24.0114  -13.8686
            11  O1a O    21.6019  -18.0775
            12  C2b C    28.8685  -18.0775
            13  O6a O    27.6703  -15.9737
            14  O6a O    22.7956  -13.1736
            15  O6a O    25.2212  -13.1619
            16  C2b C    30.0783  -17.3754
            17  C8y C    31.2882  -18.0833
            18  C8x C    32.5112  -17.3754
            19  C8x C    31.2882  -19.4805
            20  C8x C    33.7152  -18.0833
            21  C8x C    32.5112  -20.1755
            22  C8y C    33.7152  -19.4805
            23  O1a O    34.9307  -20.1755
BOND        24
            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   22  23 1
            23    6   9 1
            24   21  22 2

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