CDK     0121211652

 16 15  0  0  0  0  0  0  0  0999 V2000
    8.4294  -11.5572    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7151  -11.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0006  -11.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8424  -12.2714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0165  -12.2714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1440  -11.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8583  -11.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875  -11.5577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910  -11.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7057  -11.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4202  -11.1461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5730  -11.1451    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.5731  -10.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1915  -12.2709    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    6.2844  -11.1478    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
   10.7947  -11.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  1  5  1  6  0  0  0 
  1  4  1  1  0  0  0 
  6  1  1  0  0  0  0 
  7  6  1  0  0  0  0 
  9  8  1  0  0  0  0 
 10  9  1  0  0  0  0 
 11 10  1  0  0  0  0 
 12  8  1  0  0  0  0 
 12 13  2  0  0  0  0 
 14  5  1  0  0  0  0 
 12  7  1  0  0  0  0 
  3 15  1  0  0  0  0 
 12 16  1  0  0  0  0 
M  RGP  2  14   2  15   1
M  END
> <ID>
CHEBI:167231

> <NAME>
phosphatidylethanolamine O-18:2_20:3

> <STAR>
2

> <SYNONYM>
phosphatidylethanolamine(O-18:2_20:3); PE(O-18:2_20:3); PE O-18:2_20:3

> <FORMULA>
C43H78NO7P

> <MASS>
752.057

> <MONOISOTOPIC_MASS>
751.55159

> <CHARGE>
0

$$$$