CDK    7/27/12,16:43

 29 29  0  0  0  0  0  0  0  0999 V2000
   -2.1229   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4098   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0124   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7257   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4388   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5783   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2915   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0005   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7138   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4269   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1401   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8533   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8369   -0.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5481   -0.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5512   -1.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8372   -2.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -1.7426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8359    0.3197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1203    0.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8391   -2.9764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4388    0.3192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652    0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5783   -1.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2915    0.3192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0025    0.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7278    0.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0  0  0  0 
  1 16  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  4  5  2  0  0  0  0 
  9 10  1  0  0  0  0 
  1 20  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  2  3  2  0  0  0  0 
 16 21  1  0  0  0  0 
 10 11  2  0  0  0  0 
 21 22  1  0  0  0  0 
  5  6  1  0  0  0  0 
 19 23  2  0  0  0  0 
 11 12  1  0  0  0  0 
  6 24  1  0  0  0  0 
  1  2  1  0  0  0  0 
  8 25  1  0  0  0  0 
 12 13  2  0  0  0  0 
  9 26  1  0  0  0  0 
  6  7  1  0  0  0  0 
 10 27  1  0  0  0  0 
 13 14  1  0  0  0  0 
 27 28  1  0  0  0  0 
  3  4  1  0  0  0  0 
 24 29  1  0  0  0  0 
M  END
> <ID>
CHEBI:66788

> <NAME>
Pterocidin

> <DEFINITION>
A natural product found in Streptomyces hygroscopicus. 

> <STAR>
2

> <SYNONYM>
6-[(1E,3E,9Z,11E)-8-Hydroxy-5,9-dimethoxy-7-methyl-1,3,9,11-tetradecatetraen-1-yl]-5-methoxy-5,6-dihydro-2H-pyran-2-one

> <FORMULA>
C23H34O6

> <MASS>
406.51250

> <MONOISOTOPIC_MASS>
406.23554

> <CHARGE>
0

> <SMILES>
CC\C=C\C=C(/OC)C(O)C(C)CC(OC)\C=C\C=C\C1OC(=O)C=CC1OC

> <INCHI>
InChI=1S/C23H34O6/c1-6-7-8-13-21(28-5)23(25)17(2)16-18(26-3)11-9-10-12-20-19(27-4)14-15-22(24)29-20/h7-15,17-20,23,25H,6,16H2,1-5H3/b8-7+,11-9+,12-10+,21-13-

> <INCHIKEY>
SCULYIZXJXVKHD-WGVNNLPSSA-N

> <PUBMED_CITATION>
16724461

$$$$