CDK     1030232200

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.4545    2.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9151    1.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1081    1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6956    1.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7157    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2476    0.4894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8751    1.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3281   -0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7526    2.0360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4303    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9934   -0.2803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  4  2  1  1  0  0  0 
  3  5  1  0  0  0  0 
  6  4  1  0  0  0  0 
  7  4  1  0  0  0  0 
  8  4  1  0  0  0  0 
  5  9  2  0  0  0  0 
  6 10  1  0  0  0  0 
  6 11  1  1  0  0  0 
  7 12  1  1  0  0  0 
 13  7  1  0  0  0  0 
  8 14  1  1  0  0  0 
 10 15  2  0  0  0  0 
 11 16  2  0  0  0  0 
 13 17  1  6  0  0  0 
 18 16  1  0  0  0  0 
 18 19  1  0  0  0  0 
 18 20  1  1  0  0  0 
 21 19  1  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  1  0  0  0 
 22 24  1  0  0  0  0 
  5  8  1  0  0  0  0 
 13 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:209303

> <NAME>
Spiroleptosphol

> <STAR>
2

> <IUPAC_NAME>
(4R,5R,6R,7R,10R)-10-[(E,3R,5R)-3,5-dimethylhept-1-enyl]-4,6,7-trihydroxy-3-methylidene-2-oxaspiro[4.5]dec-8-en-1-one

> <FORMULA>
C19H28O5

> <MASS>
336.428

> <MONOISOTOPIC_MASS>
336.19367

> <CHARGE>
0

> <SMILES>
O=C1OC(=C)[C@@H]([C@]12[C@@H](C=C[C@H]([C@@H]2O)O)/C=C/[C@@H](C[C@@H](CC)C)C)O

> <INCHI>
InChI=1S/C19H28O5/c1-5-11(2)10-12(3)6-7-14-8-9-15(20)17(22)19(14)16(21)13(4)24-18(19)23/h6-9,11-12,14-17,20-22H,4-5,10H2,1-3H3/b7-6+/t11-,12+,14-,15-,16+,17+,19+/m1/s1

> <INCHIKEY>
FCZKZHGNJNETSF-YTZRTTPESA-N

$$$$