KEGG   COMPOUND: C08472
Entry
C08472                      Compound                               
Name
Avenanthramide A;
5-Hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]benzoate
Formula
C16H13NO5
Exact mass
299.0794
Mol weight
299.2781
Structure
Reaction
R12736
Enzyme
2.3.1.302
Other DBs
CAS: 108605-70-5
PubChem: 10665
ChEBI: 2939
KNApSAcK: C00001527
NIKKAJI: J704.944G
LinkDB
KCF data

ATOM        22
            1   C8y C    24.6400  -19.3900
            2   C8y C    23.4500  -18.6900
            3   N1b N    25.9000  -18.6900
            4   C8x C    24.6400  -20.7900
            5   C8x C    22.2600  -19.3900
            6   C6a C    23.4500  -17.2900
            7   C5a C    27.0900  -19.3900
            8   C8x C    23.4500  -21.4900
            9   C8y C    22.2600  -20.7900
            10  O6a O    24.6400  -16.5900
            11  O6a O    22.2600  -16.5900
            12  C2b C    28.2800  -18.6900
            13  O5a O    27.0900  -20.7900
            14  O1a O    21.0000  -21.4900
            15  C2b C    29.4700  -19.3900
            16  C8y C    30.7300  -18.6900
            17  C8x C    31.9200  -19.3900
            18  C8x C    30.7300  -17.2900
            19  C8x C    33.1800  -18.7600
            20  C8x C    31.9200  -16.5900
            21  C8y C    33.1800  -17.3600
            22  O1a O    34.3700  -16.6600
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13    9  14 1
            14   12  15 2
            15   15  16 1
            16   16  17 2
            17   16  18 1
            18   17  19 1
            19   18  20 2
            20   19  21 2
            21   21  22 1
            22    8   9 2
            23   20  21 1

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