KEGG   COMPOUND: C19079
Entry
C19079                      Compound                               
Name
(4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone;
(4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one
Formula
C10H16O3
Exact mass
184.1099
Mol weight
184.2322
Structure
Reaction
R06400 R09392
Pathway
map00903  Limonene and pinene degradation
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.105
Other DBs
PubChem: 124489751
ChEBI: 82204
LinkDB
KCF data

ATOM        13
            1   C1z C    14.3500  -11.5500
            2   C1x C    13.3601  -12.5399
            3   O7x O    15.7500  -11.5500
            4   C1x C    16.3776  -13.8922
            5   C1x C    13.7224  -13.8922
            6   C1y C    14.9348  -14.5922
            7   O1a O    14.7123  -10.1977
            8   C1a C    13.1376  -10.8500
            9   C2c C    14.9348  -15.9922
            10  C7x C    16.7399  -12.5399
            11  O6a O    18.1399  -12.5399
            12  C1a C    13.7224  -16.6922
            13  C2a C    16.1472  -16.6922
BOND        13
            1     1   2 1
            2     1   3 1
            3     2   5 1
            4     5   6 1
            5     6   4 1
            6     1   7 1
            7     1   8 1
            8     6   9 1 #Down
            9     3  10 1
            10   10   4 1
            11   10  11 2
            12    9  12 1
            13    9  13 2

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