| Entry |
|
|---|
| Name |
(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;
4-Isopropenyl-7-methyloxepan-2-one
|
|---|
| Formula |
C10H16O2
|
|---|
| Exact mass |
168.115
|
|---|
| Mol weight |
168.2328
|
|---|
| Structure |
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|---|
| Reaction |
|
|---|
| Pathway |
| map01120 | Microbial metabolism in diverse environments |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010209 Menthane monoterpenoids
C11414 (4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 12
1 C1y C 26.9893 -16.2488
2 O7x O 28.3835 -16.2478
3 C7x C 29.2659 -17.3364
4 C1x C 26.1217 -17.3436
5 C1x C 28.9669 -18.7025
6 C1x C 26.4381 -18.7103
7 C1y C 27.7064 -19.3140
8 C1a C 26.3822 -14.9873
9 O6a O 30.6298 -17.0183
10 C2c C 27.7116 -20.7147
11 C1a C 26.5003 -21.4161
12 C2a C 28.9282 -21.4070
BOND 12
1 1 2 1
2 5 7 1
3 6 7 1
4 1 4 1
5 1 8 1 #Up
6 3 9 2
7 3 5 1
8 7 10 1 #Up
9 2 3 1
10 10 11 1
11 4 6 1
12 10 12 2
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|---|
