KEGG   COMPOUND: C11457
Entry
C11457                      Compound                               
Name
3-(3-Hydroxyphenyl)propanoic acid;
Dihydro-3-coumaric acid;
3-Hydroxyphenylpropanoate;
3-(3-Hydroxyphenyl)propanoate
Formula
C9H10O3
Exact mass
166.063
Mol weight
166.1739
Structure
Reaction
R06780 R06786
Pathway
map00360  Phenylalanine metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.14.13.127
Other DBs
CAS: 621-54-5
PubChem: 13628
ChEBI: 1427
3DMET: B04268
NIKKAJI: J59.910G
LinkDB
KCF data

ATOM        12
            1   C8x C    29.3621  -19.3832
            2   C8x C    30.6067  -20.0315
            3   C8x C    31.7891  -19.2727
            4   C8y C    31.7966  -17.8815
            5   C8x C    30.4820  -17.2332
            6   C8y C    29.3000  -17.9762
            7   O1a O    32.9071  -17.1246
            8   C1b C    28.1176  -17.2900
            9   C1b C    26.9051  -17.9900
            10  C6a C    25.6927  -17.2900
            11  O6a O    24.4803  -17.9900
            12  O6a O    25.6927  -15.8900
BOND        12
            1     6   1 1
            2     1   2 2
            3     2   3 1
            4     3   4 2
            5     4   5 1
            6     5   6 2
            7     4   7 1
            8     6   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 2

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