KEGG   COMPOUND: C17145Help
Entry
C17145                      Compound                               

Name
3-Octanone
Formula
C8H16O
Exact mass
128.1201
Mol weight
128.212
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 106-68-3
PubChem: 96023597
ChEBI: 80946
ChEMBL: CHEMBL2269087
KNApSAcK: C00034765
NIKKAJI: J3.245J
LinkDB All DBs
KCF data Show

ATOM        9
            1   C1a C    16.1000  -21.0000
            2   C1b C    17.2900  -21.7000
            3   C5a C    18.5500  -21.0000
            4   C1b C    19.7400  -21.7000
            5   C1b C    20.9300  -21.0000
            6   C1b C    22.1900  -21.7000
            7   C1b C    23.3800  -21.0000
            8   C1a C    24.5700  -21.7000
            9   O5a O    18.5500  -19.6000
BOND        8
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     3   9 2

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