KEGG   COMPOUND: C12298
Entry
C12298                      Compound                               

Name
Citronellyl acetate;
3,7-Dimethyl-6-octen-1-yl acetate
Formula
C12H22O2
Exact mass
198.162
Mol weight
198.3019
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010201 Acyclic monoterpenoids
     C12298  Citronellyl acetate
Other DBs
CAS: 150-84-5
PubChem: 582689
ChEBI: 70478
ChEMBL: CHEMBL1453648
LIPIDMAPS: LMPR0102010015
KNApSAcK: C00035564
3DMET: B05624
NIKKAJI: J2.964E
KCF data

ATOM        14
            1   C1a C    22.3110  -19.2709
            2   C2c C    23.5227  -18.5663
            3   C2b C    24.7275  -19.2638
            4   C1b C    25.9393  -18.5592
            5   C1b C    27.1512  -19.2567
            6   C1c C    28.3629  -18.5523
            7   C1b C    29.5747  -19.2498
            8   C1b C    30.7866  -18.5452
            9   O7a O    31.9983  -19.2427
            10  C7a C    33.2031  -18.5381
            11  C1a C    23.5197  -17.1642
            12  C1a C    28.3598  -17.1502
            13  O6a O    33.2014  -17.1362
            14  C1a C    34.4191  -19.2412
BOND        13
            1     3   4 1
            2     7   8 1
            3     8   9 1
            4     4   5 1
            5     9  10 1
            6     2   3 2
            7     2  11 1
            8     5   6 1
            9     6  12 1
            10    1   2 1
            11   10  13 2
            12    6   7 1
            13   10  14 1

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