KEGG   COMPOUND: C09861Help
Entry
C09861                      Compound                               

Name
Geranyl acetate
Formula
C12H20O2
Exact mass
196.1463
Mol weight
196.286
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Linear monoterpenes
    C09861  Geranyl acetate
BRITE hierarchy
Other DBs
CAS: 105-87-3
PubChem: 12047
ChEBI: 5331
ChEMBL: CHEMBL1369384
KNApSAcK: C00003046
3DMET: B03329
NIKKAJI: J4.032K
LinkDB All DBs
KCF data Show

ATOM        14
            1   C2c C    24.6400  -15.4700
            2   C1b C    23.4267  -16.1758
            3   C2b C    25.8533  -16.1700
            4   C1a C    24.6400  -14.0699
            5   C1b C    22.2132  -15.4758
            6   C1b C    27.0668  -15.4642
            7   C2b C    21.0056  -16.1817
            8   O7a O    28.2801  -16.1584
            9   C2c C    19.7981  -15.4817
            10  C7a C    29.4819  -15.4583
            11  C1a C    18.5847  -16.1875
            12  C1a C    19.7923  -14.0816
            13  C1a C    30.6953  -16.1524
            14  O6a O    29.4819  -14.0525
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 2
            9     8  10 1
            10    9  11 1
            11    9  12 1
            12   10  13 1
            13   10  14 2

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