KEGG   COMPOUND: C18027Help
Entry
C18027                      Compound                               

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
Mol fileKCF fileDB search
Reaction
Pathway
map00902  Monoterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
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
BRITE hierarchy
Other DBs
CAS: 68330-67-6
PubChem: 96024247
ChEBI: 50250
KNApSAcK: C00000838
NIKKAJI: J334.144E
KCF data Show

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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