KEGG   COMPOUND: C09863Help
Entry
C09863                      Compound                               

Name
Linalyl acetate
Formula
C12H20O2
Exact mass
196.1463
Mol weight
196.286
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010201 Acyclic monoterpenoids
     C09863  Linalyl acetate
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Linear monoterpenes
    C09863  Linalyl acetate
Major components of natural products [BR:br08323]
 Essential oils
  Lavender oil
   C09863  Linalyl acetate
  Lavandin oil
   C09863  Linalyl acetate
  Clary sage oil
   C09863  Linalyl acetate
  Petitgrain bigarade oil
   C09863  Linalyl acetate
 Medicinal herbs
  Lavender
   C09863  Linalyl acetate
BRITE hierarchy
Other DBs
CAS: 115-95-7
PubChem: 12049
ChEBI: 6469 78334
LIPIDMAPS: LMPR0102010009
KNApSAcK: C00003048
3DMET: B03331
NIKKAJI: J2.900I
LinkDB All DBs
KCF data Show

ATOM        14
            1   C1d C    26.1504  -20.3528
            2   C1b C    24.9418  -21.0536
            3   C2b C    27.3652  -21.0536
            4   C1b C    23.7330  -20.3528
            5   C2a C    28.5797  -20.3528
            6   C2b C    22.5182  -21.0536
            7   C2c C    21.3037  -20.3528
            8   C1a C    20.0949  -21.0536
            9   C1a C    21.3037  -18.9514
            10  O7a O    27.1455  -19.3731
            11  C7a C    27.1039  -17.9767
            12  C1a C    28.2924  -17.2422
            13  O6a O    25.8735  -17.3145
            14  C1a C    25.1523  -19.3568
BOND        13
            1     4   6 1
            2     6   7 2
            3     7   8 1
            4     7   9 1
            5     1  10 1 #Up
            6     1   2 1
            7    10  11 1
            8     1   3 1
            9    11  12 1
            10    2   4 1
            11   11  13 2
            12    3   5 2
            13    1  14 1 #Down

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