KEGG   COMPOUND: C01198
Entry
C01198                      Compound                               
Name
3-(2-Hydroxyphenyl)propanoate;
2-Hydroxyphenylpropanoate;
3-(2-Hydroxyphenyl)propionic acid;
Melilotate;
3-(2-Hydroxyphenyl)propionate
Formula
C9H10O3
Exact mass
166.063
Mol weight
166.1739
Structure
Reaction
Pathway
map00360  Phenylalanine metabolism
map00624  Polycyclic aromatic hydrocarbon degradation
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.3.1.11        1.14.13.4       3.1.1.35
Other DBs
CAS: 495-78-3
PubChem: 4423
ChEBI: 16104 46957
KNApSAcK: C00002756
3DMET: B00259
NIKKAJI: J6.083F
KCF data

ATOM        12
            1   C8x C    19.1800  -18.7600
            2   C8x C    19.1800  -20.1600
            3   C8x C    20.3924  -20.8600
            4   C8y C    21.6049  -20.1600
            5   C8y C    21.6049  -18.7600
            6   C8x C    20.3924  -18.0600
            7   O1a O    22.8360  -18.0490
            8   C1b C    22.8424  -20.8600
            9   C1b C    24.0549  -20.1600
            10  C6a C    25.2673  -20.8600
            11  O6a O    26.4797  -20.1600
            12  O6a O    25.2673  -22.2600
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     5   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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