KEGG   COMPOUND: C11419Help
Entry
C11419                      Compound                               

Name
(3S)-3-Isopropenyl-6-oxoheptanoate;
(3S)-3-Isopropenyl-6-oxoheptanoic acid
Formula
C10H16O3
Exact mass
184.1099
Mol weight
184.2322
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Limonene and pinene degradation
Enzyme
1.14.13.105     6.2.1.-
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        13
            1   C6a C    27.8890  -16.7987
            2   O6a O    29.0421  -17.5957
            3   C5a C    26.6807  -16.1004
            4   C1a C    25.4643  -15.3952
            5   O5a O    27.8973  -15.3952
            6   C1b C    25.4643  -16.7987
            7   C1b C    25.4643  -18.1952
            8   C1c C    26.6769  -18.8935
            9   C1b C    27.8890  -18.1952
            10  O6a O    29.0985  -16.1004
            11  C2c C    26.6785  -20.2900
            12  C1a C    25.4699  -20.9898
            13  C2a C    27.8958  -20.9868
BOND        12
            1     1   2 1
            2     3   4 1
            3     3   5 2
            4     6   7 1
            5     7   8 1
            6     1  10 2
            7     8   9 1
            8     8  11 1 #Up
            9     9   1 1
            10   11  12 1
            11   11  13 2
            12    6   3 1

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