KEGG   COMPOUND: C12290Help
Entry
C12290                      Compound                               

Name
Ethyl isovalerate
Formula
C7H14O2
Exact mass
130.0994
Mol weight
130.1849
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 108-64-5
PubChem: 14434
ChEBI: 31571
ChEMBL: CHEMBL3183097
NIKKAJI: J1.967D
KCF data Show

ATOM        9
            1   C1a C    24.3500  -20.6255
            2   C1b C    25.5615  -19.9212
            3   O7a O    26.7727  -20.6184
            4   C7a C    27.9842  -19.9141
            5   C1b C    29.1956  -20.6113
            6   C1c C    30.4069  -19.9071
            7   C1a C    31.6184  -20.6044
            8   C1a C    30.4039  -18.5055
            9   O6a O    27.9771  -18.5126
BOND        8
            1     4   5 1
            2     2   3 1
            3     5   6 1
            4     1   2 1
            5     6   7 1
            6     3   4 1
            7     6   8 1
            8     4   9 2

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