| Entry |
|
|---|
| Name |
(4R,7S)-7-Isopropyl-4-methyloxepan-2-one;
(4R,7S)-4-Methyl-7-(1-methylethyl)-2-Oxepanone;
Mentholactone
|
|---|
| Formula |
C10H18O2
|
|---|
| Exact mass |
170.1307
|
|---|
| Mol weight |
170.2487
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010209 Menthane monoterpenoids
C18027 (4R,7S)-7-Isopropyl-4-methyloxepan-2-one
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 12
1 C1x C 26.9600 -23.5747
2 C1y C 28.0567 -22.7110
3 O7x O 29.4221 -23.0224
4 C7x C 30.0240 -24.2756
5 C1x C 26.9600 -24.9837
6 C1x C 29.4230 -25.5429
7 C1y C 28.0567 -25.8545
8 O6a O 31.4299 -24.2721
9 C1c C 27.7428 -21.3188
10 C1a C 26.3948 -20.8986
11 C1a C 28.7440 -20.3953
12 C1a C 28.0567 -27.2545
BOND 12
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 4 8 2
9 2 9 1 #Up
10 9 10 1
11 9 11 1
12 7 12 1 #Down
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|---|
