KEGG   COMPOUND: C02181Help
Entry
C02181                      Compound                               

Name
Phenoxyacetate;
Phenoxyacetic acid
Formula
C8H8O3
Exact mass
152.0473
Mol weight
152.1473
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 122-59-8
PubChem: 5253
ChEBI: 8075
ChEMBL: CHEMBL173521
PDB-CCD: 06Y[PDBj]
NIKKAJI: J5.358I
KCF data Show

ATOM        11
            1   C8y C    17.2525  -14.4318
            2   O2a O    17.2460  -13.0356
            3   C8x C    16.0483  -15.1301
            4   C8x C    18.4759  -15.1301
            5   C1b C    18.4502  -12.3373
            6   C8x C    16.0483  -16.5328
            7   C8x C    18.4759  -16.5328
            8   C6a C    19.6608  -13.0292
            9   C8x C    17.2525  -17.2502
            10  O6a O    19.6608  -14.4255
            11  O6a O    20.8650  -12.3247
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     6   9 2
            9     8  10 1
            10    8  11 2
            11    7   9 1

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