KEGG   COMPOUND: C11402Help
Entry
C11402                      Compound                               

Name
(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
Formula
C10H16O2
Exact mass
168.115
Mol weight
168.2328
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Limonene and pinene degradation
Degradation of aromatic compounds
Enzyme
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C1x C    22.8485  -17.7402
            2   C1y C    23.7034  -16.6415
            3   O7x O    25.1074  -16.6845
            4   C1x C    23.1917  -19.1035
            5   C7x C    26.0072  -17.6822
            6   C1y C    24.4683  -19.6917
            7   C1x C    25.7122  -19.0513
            8   C1a C    23.0763  -15.3894
            9   C2c C    24.4976  -21.0925
            10  O6a O    27.3670  -17.3455
            11  C1a C    23.2980  -21.8146
            12  C2a C    25.7191  -21.7640
BOND        12
            1     1   2 1
            2     5   7 1
            3     6   7 1
            4     1   4 1
            5     2   8 1 #Up
            6     6   9 1 #Down
            7     3   5 1
            8     5  10 2
            9     2   3 1
            10    9  11 1
            11    4   6 1
            12    9  12 2

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