24991154
  CDK     1106202311

 24 24  0  0  0  0  0  0  0  0999 V2000
    3.8947   -5.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0302   -4.2115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343   -4.2115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3401    0.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3401    1.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6256    0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0546    2.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6256   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0546    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9112   -0.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7690    3.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9112   -1.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7690    4.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1966   -1.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4835    4.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1966   -2.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4835    5.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4822   -3.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4822   -3.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1979    5.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147   -4.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1496   -4.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0697   -5.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5847   -5.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
  2 21  1  0  0  0  0 
  3 22  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 20  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
M  END
> <ID>
CHEBI:166559

> <NAME>
Isolinderanolide

> <STAR>
2

> <IUPAC_NAME>
(3Z)-3-hexadecylidene-4-hydroxy-5-methylideneoxolan-2-one

> <FORMULA>
C21H36O3

> <MASS>
336.516

> <MONOISOTOPIC_MASS>
336.26645

> <CHARGE>
0

> <SMILES>
O1C(=O)/C(=C\CCCCCCCCCCCCCCC)/C(O)C1=C

> <INCHI>
InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h17,20,22H,2-16H2,1H3/b19-17-

> <INCHIKEY>
HFEZVKMFKXUREP-ZPHPHTNESA-N

$$$$