KEGG   COMPOUND: C09863
Entry
C09863                      Compound                               

Name
Linalyl acetate
Formula
C12H20O2
Exact mass
196.1463
Mol weight
196.286
Structure
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
Other DBs
CAS: 115-95-7
PubChem: 12049
ChEBI: 6469 78334
LIPIDMAPS: LMPR0102010009
KNApSAcK: C00003048
3DMET: B03331
NIKKAJI: J2.900I
KCF data

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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