KEGG   COMPOUND: C12289Help
Entry
C12289                      Compound                               

Name
Isoamyl isovalerate
Formula
C10H20O2
Exact mass
172.1463
Mol weight
172.2646
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 659-70-1
PubChem: 14433
ChEBI: 31727
ChEMBL: CHEMBL3189076
LIPIDMAPS: LMFA07010919
NIKKAJI: J2.103B
KCF data Show

ATOM        12
            1   C1a C    23.1658  -20.5853
            2   C1c C    24.3711  -19.8806
            3   C1b C    25.5835  -20.5784
            4   C1b C    26.7956  -19.8735
            5   O7a O    28.0080  -20.5713
            6   C7a C    29.2204  -19.8664
            7   C1b C    30.4326  -20.5642
            8   C1c C    31.6449  -19.8595
            9   C1a C    32.8502  -20.5573
            10  C1a C    24.3680  -18.4779
            11  C1a C    31.6419  -18.4568
            12  O6a O    29.2133  -18.4639
BOND        11
            1     1   2 1
            2     6   7 1
            3     3   4 1
            4     7   8 1
            5     8   9 1
            6     4   5 1
            7     2  10 1
            8     2   3 1
            9     8  11 1
            10    5   6 1
            11    6  12 2

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