KEGG   COMPOUND: C12301
Entry
C12301                      Compound                               
Name
beta-Terpinyl acetate;
Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, 1-acetate
Formula
C12H20O2
Exact mass
196.1463
Mol weight
196.29
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010209 Menthane monoterpenoids
     C12301  beta-Terpinyl acetate
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Cyclic monoterpenes
    C12301  beta-Terpinyl acetate
Other DBs
CAS: 10198-23-9
PubChem: 582692
ChEBI: 32327
LIPIDMAPS: LMPR0102090046
NIKKAJI: J629G
LinkDB
KCF data

ATOM        14
            1   C1x C    23.7954  -15.5168
            2   C1x C    23.7954  -16.9183
            3   C1y C    25.0128  -17.6155
            4   C1x C    26.2162  -16.9183
            5   C1x C    26.2162  -15.5168
            6   C1z C    25.0128  -14.8125
            7   C1a C    23.7883  -14.1153
            8   O7a O    26.2108  -14.1084
            9   C7a C    26.2000  -12.7069
            10  C1a C    27.4092  -11.9933
            11  O6a O    24.9870  -12.0122
            12  C2c C    24.9996  -19.0169
            13  C1a C    23.7812  -19.7141
            14  C2a C    26.2039  -19.7212
BOND        14
            1     6   7 1
            2     1   2 1
            3     6   8 1
            4     2   3 1
            5     8   9 1
            6     3   4 1
            7     9  10 1
            8     4   5 1
            9     9  11 2
            10    5   6 1
            11    3  12 1
            12    6   1 1
            13   12  13 1
            14   12  14 2

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