KEGG   COMPOUND: C11418
Entry
C11418                      Compound                               
Name
(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone
Formula
C10H16O2
Exact mass
168.1150
Mol weight
168.23
Structure
Reaction
R06389 R06393
Pathway
map00903  Limonene degradation
Enzyme
1.14.13.105     3.1.1.83
Other DBs
PubChem: 13592
ChEBI: 64232
NIKKAJI: J2.774.367F
LinkDB
KCF data

ATOM        12
            1   C1y C    24.3618  -16.7129
            2   C7x C    25.7562  -16.6993
            3   O7x O    26.6489  -17.7799
            4   C1x C    23.5043  -17.8159
            5   C1x C    26.3623  -19.1489
            6   C1x C    23.8331  -19.1800
            7   C1y C    25.1072  -19.7722
            8   C1a C    23.7430  -15.4569
            9   O6a O    26.3535  -15.4293
            10  C2c C    25.1253  -21.1731
            11  C1a C    23.9201  -21.8856
            12  C2a C    26.3405  -21.8560
BOND        12
            1     6   7 1
            2     1   4 1
            3     1   8 1 #Down
            4     2   9 2
            5     3   5 1
            6     2   3 1
            7     4   6 1
            8     7  10 1 #Up
            9     1   2 1
            10   10  11 1
            11    5   7 1
            12   10  12 2

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