KEGG   COMPOUND: C11414Help
Entry
C11414                      Compound                               

Name
(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;
4-Isopropenyl-7-methyloxepan-2-one
Formula
C10H16O2
Exact mass
168.115
Mol weight
168.2328
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Limonene and pinene degradation
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010209 Menthane monoterpenoids
     C11414  (4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C1y C    26.9893  -16.2488
            2   O7x O    28.3835  -16.2478
            3   C7x C    29.2659  -17.3364
            4   C1x C    26.1217  -17.3436
            5   C1x C    28.9669  -18.7025
            6   C1x C    26.4381  -18.7103
            7   C1y C    27.7064  -19.3140
            8   C1a C    26.3822  -14.9873
            9   O6a O    30.6298  -17.0183
            10  C2c C    27.7116  -20.7147
            11  C1a C    26.5003  -21.4161
            12  C2a C    28.9282  -21.4070
BOND        12
            1     1   2 1
            2     5   7 1
            3     6   7 1
            4     1   4 1
            5     1   8 1 #Up
            6     3   9 2
            7     3   5 1
            8     7  10 1 #Up
            9     2   3 1
            10   10  11 1
            11    4   6 1
            12   10  12 2

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