KEGG   COMPOUND: C11403
Entry
C11403                      Compound                               
Name
(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone
Formula
C10H16O2
Exact mass
168.115
Mol weight
168.2328
Structure
Reaction
R06388 R06391
Pathway
map00903  Limonene degradation
Enzyme
1.14.13.105     3.1.1.83
Other DBs
PubChem: 13577
ChEBI: 64231
3DMET: B04249
NIKKAJI: J2.490.914J
LinkDB
KCF data

ATOM        12
            1   C1y C    24.3492  -16.6778
            2   C7x C    25.7432  -16.6642
            3   O7x O    26.6355  -17.7445
            4   C1x C    23.4920  -17.7804
            5   C1x C    26.3490  -19.1129
            6   C1x C    23.8207  -19.1440
            7   C1y C    25.0944  -19.7360
            8   C1a C    23.7307  -15.4222
            9   O6a O    26.3402  -15.3947
            10  C2c C    25.1125  -21.1363
            11  C1a C    23.9077  -21.8486
            12  C2a C    26.3352  -21.8174
BOND        12
            1     1   2 1
            2     5   7 1
            3     6   7 1
            4     1   4 1
            5     1   8 1 #Down
            6     2   9 2
            7     3   5 1
            8     7  10 1 #Down
            9     2   3 1
            10   10  11 1
            11    4   6 1
            12   10  12 2

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