KEGG   COMPOUND: C10976Help
Entry
C10976                      Compound                               

Name
1-Oxa-2-oxo-3-methylcycloheptane
Formula
C7H12O2
Exact mass
128.0837
Mol weight
128.169
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 2549-61-3
PubChem: 13159
ChEBI: 663
NIKKAJI: J329.705E
KCF data Show

ATOM        9
            1   C7x C    28.7324  -17.1676
            2   C1y C    27.4550  -17.7409
            3   O7x O    30.0259  -17.7717
            4   O6a O    28.7026  -15.7868
            5   C1x C    27.1050  -19.0819
            6   C1x C    30.3240  -19.1107
            7   C1x C    27.9840  -20.1624
            8   C1x C    29.4223  -20.1745
            9   C1a C    26.3814  -16.8304
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     6   8 1
            8     7   8 1
            9     2   9 1

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