CDK    9/10/12,15:49

 29 29  0  0  0  0  0  0  0  0999 V2000
   10.2792   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792   -8.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250   -9.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0458   -8.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3458   -9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3208   -9.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1708   -8.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750  -10.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167  -10.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625  -10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -9.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -9.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4875   -9.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750   -7.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875  -10.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000  -10.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3458  -10.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0875   -6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417  -11.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292  -11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000   -9.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0583   -9.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542   -9.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583  -11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125  -11.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7708  -11.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  1  2  0  0  0  0 
  5  1  1  0  0  0  0 
  6  7  1  0  0  0  0 
  5  7  1  6  0  0  0 
  8  2  2  0  0  0  0 
  9  6  2  0  0  0  0 
 10 15  2  0  0  0  0 
 11 14  2  0  0  0  0 
 12 13  2  0  0  0  0 
 13 17  1  0  0  0  0 
 14 19  1  0  0  0  0 
 15 18  1  0  0  0  0 
 16  1  1  0  0  0  0 
 17 24  1  0  0  0  0 
 18 23  1  0  0  0  0 
 19 25  1  0  0  0  0 
 20 16  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22  9  1  0  0  0  0 
 23  9  1  0  0  0  0 
 24 11  1  0  0  0  0 
 25 10  1  0  0  0  0 
 26 12  1  0  0  0  0 
 27 12  1  0  0  0  0 
 28 11  1  0  0  0  0 
 29 10  1  0  0  0  0 
  2  3  1  0  0  0  0 
M  END
> <ID>
CHEBI:67736

> <NAME>
HippolideE

> <DEFINITION>
A natural product found in Hippospongia lachne. 

> <STAR>
2

> <SYNONYM>
(2R)-3-(hydroxymethyl)-2-[(2E,6E,10E)-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraenyl]-2H-furan-5-one

> <FORMULA>
C25H38O4

> <MASS>
402.56680

> <MONOISOTOPIC_MASS>
402.27701

> <CHARGE>
0

> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(CO)=C/C[C@H]1OC(=O)C=C1CO

> <INCHI>
InChI=1S/C25H38O4/c1-19(2)8-5-9-20(3)10-6-11-21(4)12-7-13-22(17-26)14-15-24-23(18-27)16-25(28)29-24/h8,10,12,14,16,24,26-27H,5-7,9,11,13,15,17-18H2,1-4H3/b20-10+,21-12+,22-14+/t24-/m1/s1

> <INCHIKEY>
ZPTKQNSPWUWKEN-QAXNIAIFSA-N

> <PUBMED_CITATION>
21548579

$$$$