ISISHOST09070423312D 1   1.00000     0.00000 14983

 29 28  0     0  0            999 V2000
   17.3318   -5.1613    0.0000 S   0  0  0  0  0  0           0  0  0
   16.2693   -5.1655    0.0000 C   0  0  0  0  0  0           0  0  0
    7.7625   -5.1875    0.0000 C   0  0  0  0  0  0           0  0  0
    8.2917   -4.8792    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8250   -5.1833    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3542   -4.8750    0.0000 C   0  0  0  0  0  0           0  0  0
    9.3524   -4.2583    0.0000 O   0  0  0  0  0  0           0  0  0
    8.2899   -4.2625    0.0000 O   0  0  0  0  0  0           0  0  0
    9.8875   -5.1792    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4208   -4.8708    0.0000 C   0  0  0  0  0  0           0  0  0
   10.9542   -5.1792    0.0000 C   0  0  0  0  0  0           0  0  0
   11.4833   -4.8667    0.0000 C   0  0  0  0  0  0           0  0  0
   12.0125   -5.1750    0.0000 C   0  0  0  0  0  0           0  0  0
   12.5417   -4.8667    0.0000 C   0  0  3  0  0  0           0  0  0
   13.0792   -5.1708    0.0000 C   0  0  0  0  0  0           0  0  0
   10.4190   -4.2542    0.0000 O   0  0  0  0  0  0           0  0  0
   11.4815   -4.2542    0.0000 O   0  0  0  0  0  0           0  0  0
   12.5440   -4.2500    0.0000 O   0  0  0  0  0  0           0  0  0
   13.6083   -4.8625    0.0000 C   0  0  0  0  0  0           0  0  0
   14.1417   -5.1708    0.0000 C   0  0  0  0  0  0           0  0  0
   14.6708   -4.8583    0.0000 C   0  0  0  0  0  0           0  0  0
   15.2083   -5.1667    0.0000 C   0  0  0  0  0  0           0  0  0
   15.7375   -4.8583    0.0000 C   0  0  0  0  0  0           0  0  0
   13.6107   -4.2458    0.0000 O   0  0  0  0  0  0           0  0  0
   14.6732   -4.2458    0.0000 O   0  0  0  0  0  0           0  0  0
   15.7357   -4.2417    0.0000 O   0  0  0  0  0  0           0  0  0
   16.7958   -4.8542    0.0000 C   0  0  0  0  0  0           0  0  0
   16.7969   -4.2375    0.0000 O   0  0  0  0  0  0           0  0  0
   17.8583   -4.8500    0.0000 R   0  0  0  0  0  0           0  0  0
 10 16  2  0     0  0
  5  6  1  0     0  0
 12 17  2  0     0  0
  9 10  1  0     0  0
 14 18  1  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  2  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
 27  1  1  0     0  0
 14 15  1  0     0  0
 27 28  2  0     0  0
  6  9  1  0     0  0
  1 29  1  0     0  0
M  END
> <ID>
CHEBI:31152

> <NAME>
9-Hydroxy-3,5,7,11,13,15,17-octaoxo-octadecanoyl-[acp]

> <STAR>
2

> <SYNONYM>
9-Hydroxy-3,5,7,11,13,15,17-octaoxo-octadecanoyl-[acp]

> <FORMULA>
C18H21O9SR

> <MASS>
413.421

> <MONOISOTOPIC_MASS>
413.09063

> <CHARGE>
0

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

> <KEGG_COMPOUND_ACCESSION>
C12360

$$$$