KEGG   COMPOUND: C01744Help
Entry
C01744                      Compound                               

Name
Phloretate;
Phloretic acid;
3-(4-Hydroxyphenyl)propionic acid
Formula
C9H10O3
Exact mass
166.063
Mol weight
166.1739
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Other DBs
CAS: 
501-97-3
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C8y C    12.9500  -21.7000
            2   C8x C    12.9500  -23.1000
            3   C8x C    14.1624  -23.8000
            4   C8y C    15.3749  -23.1000
            5   C8x C    15.3749  -21.7000
            6   C8x C    14.1624  -21.0000
            7   O1a O    11.7376  -21.0000
            8   C1b C    16.6124  -23.8000
            9   C1b C    17.8249  -23.1000
            10  C6a C    19.0373  -23.8000
            11  O6a O    20.2497  -23.1000
            12  O6a O    19.0373  -25.2000
BOND        12
            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     1   7 1
            8     4   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 2

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