Mol:EEL2073

Copyright: ARM project http://www.metabolome.jp/

28 27  0  0  0  0  0  0  0  0999 V2000 
  -1.5064   -2.6768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0236   -1.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6355   -0.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0701   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6819    0.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9073   -1.1834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9343   -0.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1344   -0.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0200    1.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4367    1.6010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1344    0.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7420   -2.6768    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7420   -1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0223   -2.6768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7420   -3.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6845    1.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1192    2.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7311    2.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1657    3.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7775    4.2662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0028    2.4474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0298    3.2732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7368   -3.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4513   -2.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1657   -3.0893    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
   0.5774   -1.1676    0.0000 R2  0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7420   -4.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2231    0.8041    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 3  7  1  0 
 3  6  1  0 
 6  8  1  0 
 5  9  1  0 
 9 10  1  0 
 8 11  2  0 
 1 12  1  0 
12 13  2  0 
12 14  1  0 
12 15  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
18 22  1  0 
18 21  1  0 
 9 16  1  0 
14 23  1  0 
23 24  1  0 
24 25  1  0 
 8 26  1  0 
15 27  1  0 
 9 28  1  0

M CHG 1 25 1 S SKP 6 AUTODRAW FALSE ID EEL2073 FORMULA C11H23NO10PR1R2 EXACTMASS 452.08925747099994 AVERAGEMASS 452.258121 SMILES [NH3+1]CCOP(=O)(OC)OCC([H])(COC([H])([R1])OCC([H])(O)CO)OC(=O)[R2] M END

Mol:EEL2073

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