KEGG   COMPOUND: C10484Help
Entry
C10484                      Compound                               

Name
Phenethyl caffeate;
Caffeic acid phenethyl ester
Formula
C17H16O4
Exact mass
284.1049
Mol weight
284.3065
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 104594-70-9
PubChem: 12667
ChEBI: 8062
ChEMBL: CHEMBL319244
KNApSAcK: C00002766
PDB-CCD: QAP[PDBj]
3DMET: B03889
NIKKAJI: J524.610E
KCF data Show

ATOM        21
            1   C8y C    27.0572  -20.1650
            2   C8x C    27.0848  -21.5702
            3   C2b C    25.8649  -19.4357
            4   C8x C    28.2901  -19.4972
            5   C8x C    28.2150  -22.3019
            6   C8y C    29.4854  -20.2316
            7   C8y C    29.4477  -21.6339
            8   O1a O    30.6402  -22.3633
            9   O1a O    30.7142  -19.5659
            10  C2b C    24.5979  -20.1248
            11  C7a C    23.3677  -19.3727
            12  O7a O    22.1405  -20.0408
            13  O6a O    23.4026  -17.9902
            14  C1b C    20.9218  -19.2960
            15  C1b C    19.6886  -19.9673
            16  C8y C    18.4728  -19.2243
            17  C8x C    18.5073  -17.8503
            18  C8x C    17.3128  -17.1201
            19  C8x C    16.0832  -17.7895
            20  C8x C    16.0487  -19.1635
            21  C8x C    17.2432  -19.8936
BOND        22
            1     7   8 1
            2     6   7 2
            3     1   2 1
            4     1   3 1
            5     6   9 1
            6     1   4 2
            7     2   5 2
            8     4   6 1
            9     5   7 1
            10    3  10 2
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1

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