CDK     1018121543

 19 18  0  0  0  0  0  0  0  0999 V2000
    2.5500   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1542   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792   -0.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6958   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  3  1  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6  2  2  0  0  0  0 
  7  3  1  0  0  0  0 
  8  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10  4  1  0  0  0  0 
 11  7  1  0  0  0  0 
 12  2  1  0  0  0  0 
 13  8  1  0  0  0  0 
 14  1  1  0  0  0  0 
 15  4  1  0  0  0  0 
 16  8  1  0  0  0  0 
 17  7  1  0  0  0  0 
 18  9  1  0  0  0  0 
 19 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:69422

> <NAME>
actinopolysporin A

> <DEFINITION>
A natural product found in Actinopolyspora erythraea YIM 90600. 

> <STAR>
2

> <FORMULA>
C15H28O4

> <MASS>
272.38040

> <MONOISOTOPIC_MASS>
272.19876

> <CHARGE>
0

> <SMILES>
COC(=O)C(\C)=C\C(C)CC(C)CC(C)(O)C(C)O

> <INCHI>
InChI=1S/C15H28O4/c1-10(8-12(3)14(17)19-6)7-11(2)9-15(5,18)13(4)16/h8,10-11,13,16,18H,7,9H2,1-6H3/b12-8+

> <INCHIKEY>
CKWFXHNQQBEUKJ-XYOKQWHBSA-N

> <PUBMED_CITATION>
21870828

$$$$