ISISHOST09070423312D 1   1.00000     0.00000 14987

 33 32  0     0  0            999 V2000
   38.6402   -5.1655    0.0000 S   0  0  0  0  0  0           0  0  0
   36.5110   -5.1655    0.0000 C   0  0  0  0  0  0           0  0  0
   28.0000   -5.1875    0.0000 C   0  0  0  0  0  0           0  0  0
   28.5333   -4.8792    0.0000 C   0  0  0  0  0  0           0  0  0
   29.0625   -5.1833    0.0000 C   0  0  0  0  0  0           0  0  0
   29.5958   -4.8750    0.0000 C   0  0  0  0  0  0           0  0  0
   29.5940   -4.2583    0.0000 O   0  0  0  0  0  0           0  0  0
   28.5315   -4.2625    0.0000 O   0  0  0  0  0  0           0  0  0
   30.1250   -5.1792    0.0000 C   0  0  0  0  0  0           0  0  0
   30.6583   -4.8708    0.0000 C   0  0  0  0  0  0           0  0  0
   31.1917   -5.1792    0.0000 C   0  0  0  0  0  0           0  0  0
   31.7250   -4.8667    0.0000 C   0  0  0  0  0  0           0  0  0
   32.2542   -5.1750    0.0000 C   0  0  0  0  0  0           0  0  0
   32.7833   -4.8667    0.0000 C   0  0  0  0  0  0           0  0  0
   33.3208   -5.1708    0.0000 C   0  0  0  0  0  0           0  0  0
   30.6565   -4.2542    0.0000 O   0  0  0  0  0  0           0  0  0
   31.7232   -4.2542    0.0000 O   0  0  0  0  0  0           0  0  0
   32.7815   -4.2500    0.0000 O   0  0  0  0  0  0           0  0  0
   33.8500   -4.8625    0.0000 C   0  0  3  0  0  0           0  0  0
   34.3833   -5.1708    0.0000 C   0  0  0  0  0  0           0  0  0
   34.9125   -4.8583    0.0000 C   0  0  0  0  0  0           0  0  0
   35.4458   -5.1667    0.0000 C   0  0  0  0  0  0           0  0  0
   35.9792   -4.8583    0.0000 C   0  0  0  0  0  0           0  0  0
   33.8482   -4.2458    0.0000 O   0  0  0  0  0  0           0  0  0
   34.9107   -4.2458    0.0000 O   0  0  0  0  0  0           0  0  0
   35.9774   -4.2417    0.0000 O   0  0  0  0  0  0           0  0  0
   37.0375   -4.8542    0.0000 C   0  0  0  0  0  0           0  0  0
   37.5708   -5.1625    0.0000 C   0  0  0  0  0  0           0  0  0
   38.1000   -4.8542    0.0000 C   0  0  0  0  0  0           0  0  0
   37.0397   -4.2375    0.0000 O   0  0  0  0  0  0           0  0  0
   38.1006   -4.2375    0.0000 O   0  0  0  0  0  0           0  0  0
   39.1667   -4.8542    0.0000 R   0  0  0  0  0  0           0  0  0
   27.4694   -4.8816    0.0000 C   0  0  0  0  0  0           0  0  0
 14 18  2  0     0  0
 15 19  1  0     0  0
 10 11  1  0     0  0
 19 20  1  0     0  0
  6  7  2  0     0  0
 20 21  1  0     0  0
 11 12  1  0     0  0
 21 22  1  0     0  0
  4  5  1  0     0  0
 22 23  1  0     0  0
 23  2  1  0     0  0
 12 13  1  0     0  0
 19 24  1  0     0  0
  4  8  2  0     0  0
 21 25  2  0     0  0
 13 14  1  0     0  0
 23 26  2  0     0  0
  3  4  1  0     0  0
  2 27  1  0     0  0
 14 15  1  0     0  0
 27 28  1  0     0  0
  6  9  1  0     0  0
 28 29  1  0     0  0
 29  1  1  0     0  0
 10 16  2  0     0  0
 27 30  2  0     0  0
  5  6  1  0     0  0
 29 31  2  0     0  0
 12 17  2  0     0  0
  1 32  1  0     0  0
  9 10  1  0     0  0
  3 33  1  0     0  0
M  END
> <ID>
CHEBI:31149

> <NAME>
9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-henicosanoyl-[acp]

> <STAR>
2

> <SYNONYM>
9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-henicosanoyl-[acp]

> <FORMULA>
C21H25O10SR

> <MASS>
469.484

> <MONOISOTOPIC_MASS>
469.11684

> <CHARGE>
0

> <SMILES>
CCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(O)CC(=O)CC(=O)CC(=O)CC(=O)S[*]

> <KEGG_COMPOUND_ACCESSION>
C12364

$$$$