ISISHOST07280423302D 1   1.00000     0.00000 14729

 13 12  0     0  0            999 V2000
   14.5750  -12.4583    0.0000 C   0  0  0  0  0  0           0  0  0
   15.2917  -12.0417    0.0000 C   0  0  0  0  0  0           0  0  0
   16.0083  -12.4542    0.0000 C   0  0  0  0  0  0           0  0  0
   16.7250  -12.0375    0.0000 C   0  0  0  0  0  0           0  0  0
   17.4417  -12.4500    0.0000 C   0  0  0  0  0  0           0  0  0
   18.1542  -12.0333    0.0000 C   0  0  3  0  0  0           0  0  0
   18.8708  -12.4458    0.0000 C   0  0  0  0  0  0           0  0  0
   19.5875  -12.0292    0.0000 C   0  0  0  0  0  0           0  0  0
   20.3042  -12.4417    0.0000 O   0  0  0  0  0  0           0  0  0
   21.0208  -12.0250    0.0000 C   0  0  0  0  0  0           0  0  0
   15.2899  -11.2125    0.0000 C   0  0  0  0  0  0           0  0  0
   18.1524  -11.2042    0.0000 C   0  0  0  0  0  0           0  0  0
   21.0198  -11.1958    0.0000 O   0  0  0  0  0  0           0  0  0
  6  7  1  0     0  0
  3  4  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  4  5  1  0     0  0
  9 10  1  0     0  0
  2  3  2  0     0  0
  2 11  1  0     0  0
  5  6  1  0     0  0
  6 12  1  0     0  0
  1  2  1  0     0  0
 10 13  2  0     0  0
M  END
> <ID>
CHEBI:31406

> <NAME>
Citronellyl formate

> <STAR>
2

> <SYNONYM>
Citronellyl formate

> <FORMULA>
C11H20O2

> <MASS>
184.276

> <MONOISOTOPIC_MASS>
184.14633

> <CHARGE>
0

> <SMILES>
CC(CCOC=O)CCC=C(C)C

> <INCHI>
InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3

> <INCHIKEY>
DZNVIZQPWLDQHI-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
105-85-1

> <KEGG_COMPOUND_ACCESSION>
C12295

$$$$