KEGG   COMPOUND: C18066Help
Entry
C18066                      Compound                               

Name
7-Isopropyl-4-methyloxepan-2-one
Formula
C10H18O2
Exact mass
170.1307
Mol weight
170.2487
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010209 Menthane monoterpenoids
     C18066  7-Isopropyl-4-methyloxepan-2-one
BRITE hierarchy
Other DBs
PubChem: 96024284
ChEBI: 50243
NIKKAJI: J182.248I
KCF data Show

ATOM        12
            1   C1y C    26.1217  -22.9851
            2   C1x C    24.8576  -23.5762
            3   O7x O    27.3800  -23.6054
            4   C1x C    24.5299  -24.9398
            5   C7x C    27.6784  -24.9749
            6   C1y C    25.3902  -26.0460
            7   C1x C    26.7947  -26.0518
            8   O6a O    29.0158  -25.2974
            9   C1a C    24.7789  -27.2897
            10  C1c C    26.1366  -21.5603
            11  C1a C    27.3360  -20.8841
            12  C1a C    24.9118  -20.8358
BOND        12
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   7 1
            8     5   8 2
            9     6   9 1
            10    1  10 1
            11   10  11 1
            12   10  12 1

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