KEGG   COMPOUND: C12296
Entry
C12296                      Compound                               
Name
Isoamyl acetate;
3-Methylbutyl acetate
Formula
C7H14O2
Exact mass
130.0994
Mol weight
130.1849
Structure
Reaction
R12516
Enzyme
3.1.1.112
Other DBs
CAS: 123-92-2
PubChem: 14440
ChEBI: 31725
KNApSAcK: C00035116
NIKKAJI: J2.012E
LinkDB
KCF data

ATOM        9
            1   C1a C    24.3587  -20.6142
            2   C1c C    25.5702  -19.9100
            3   C1b C    26.7815  -20.6073
            4   C1b C    27.9929  -19.9029
            5   O7a O    29.2044  -20.6002
            6   C7a C    30.4157  -19.8958
            7   C1a C    31.6271  -20.5931
            8   C1a C    25.5672  -18.5084
            9   O6a O    30.4787  -18.4944
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     2   8 1
            8     6   9 2

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